N-[[4-[5-acetyl-4-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazol-1-yl]phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazol-5-yl]ethanone;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane

C83H84F15N17O8 — CID 165104172

IUPACN-[[4-[5-acetyl-4-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazol-1-yl]phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazol-5-yl]ethanone;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane
SMILESC.CC(=O)c1c(N)c(C(C)C(F)(F)F)nn1-c1ccc(CN)cc1.CC(=O)c1c(N)c(C(C)C(F)(F)F)nn1-c1ccc(CNC(=O)c2cc(F)ccc2C)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-n2nc(C(C)C(F)(F)F)c(N)c2C(=O)O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-n2nc(C(C)C(F)(F)F)c(N)c2C(N)=O)cc1
InChIInChI=1S/C23H22F4N4O2.C22H21F4N5O2.C22H20F4N4O3.C15H17F3N4O.CH4/c1-12-4-7-16(24)10-18(12)22(33)29-11-15-5-8-17(9-6-15)31-21(14(3)32)19(28)20(30-31)13(2)23(25,26)27;1-11-3-6-14(23)9-16(11)21(33)29-10-13-4-7-15(8-5-13)31-19(20(28)32)17(27)18(30-31)12(2)22(24,25)26;1-11-3-6-14(23)9-16(11)20(31)28-10-13-4-7-15(8-5-13)30-19(21(32)33)17(27)18(29-30)12(2)22(24,25)26;1-8(15(16,17)18)13-12(20)14(9(2)23)22(21-13)11-5-3-10(7-19)4-6-11;/h4-10,13H,11,28H2,1-3H3,(H,29,33);3-9,12H,10,27H2,1-2H3,(H2,28,32)(H,29,33);3-9,12H,10,27H2,1-2H3,(H,28,31)(H,32,33);3-6,8H,7,19-20H2,1-2H3;1H4
InChIKeyYVVOYOZRLKNAQN-UHFFFAOYSA-N
MW1732.67 g/mol
LogP15.91
Rot. Bonds22

About N-[[4-[5-acetyl-4-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazol-1-yl]phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazol-5-yl]ethanone;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane

N-[[4-[5-acetyl-4-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazol-1-yl]phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazol-5-yl]ethanone;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane (PubChem CID 165104172) has the molecular formula C83H84F15N17O8 and a molecular weight of 1732.67 g/mol. Its IUPAC name is N-[[4-[5-acetyl-4-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazol-1-yl]phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazol-5-yl]ethanone;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane.

Molecular Properties

Compound NameN-[[4-[5-acetyl-4-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazol-1-yl]phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazol-5-yl]ethanone;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane
PubChem CID165104172
Molecular FormulaC83H84F15N17O8
Molecular Weight1732.67 g/mol
Exact Mass1731.64
IUPAC NameN-[[4-[5-acetyl-4-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazol-1-yl]phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazol-5-yl]ethanone;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane
SMILESC.CC(=O)c1c(N)c(C(C)C(F)(F)F)nn1-c1ccc(CN)cc1.CC(=O)c1c(N)c(C(C)C(F)(F)F)nn1-c1ccc(CNC(=O)c2cc(F)ccc2C)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-n2nc(C(C)C(F)(F)F)c(N)c2C(=O)O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-n2nc(C(C)C(F)(F)F)c(N)c2C(N)=O)cc1
InChIInChI=1S/C23H22F4N4O2.C22H21F4N5O2.C22H20F4N4O3.C15H17F3N4O.CH4/c1-12-4-7-16(24)10-18(12)22(33)29-11-15-5-8-17(9-6-15)31-21(14(3)32)19(28)20(30-31)13(2)23(25,26)27;1-11-3-6-14(23)9-16(11)21(33)29-10-13-4-7-15(8-5-13)31-19(20(28)32)17(27)18(30-31)12(2)22(24,25)26;1-11-3-6-14(23)9-16(11)20(31)28-10-13-4-7-15(8-5-13)30-19(21(32)33)17(27)18(29-30)12(2)22(24,25)26;1-8(15(16,17)18)13-12(20)14(9(2)23)22(21-13)11-5-3-10(7-19)4-6-11;/h4-10,13H,11,28H2,1-3H3,(H,29,33);3-9,12H,10,27H2,1-2H3,(H2,28,32)(H,29,33);3-9,12H,10,27H2,1-2H3,(H,28,31)(H,32,33);3-6,8H,7,19-20H2,1-2H3;1H4
InChIKeyYVVOYOZRLKNAQN-UHFFFAOYSA-N
XLogP15.91
TPSA403.21 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001732.67
LogP ≤ 515.91
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze N-[[4-[5-acetyl-4-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazol-1-yl]phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazol-5-yl]ethanone;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-acetyl-4-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazol-1-yl]phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazol-5-yl]ethanone;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane?
The IUPAC name of N-[[4-[5-acetyl-4-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazol-1-yl]phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazol-5-yl]ethanone;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane (CID 165104172) is N-[[4-[5-acetyl-4-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazol-1-yl]phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazol-5-yl]ethanone;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane.
What is the SMILES notation for N-[[4-[5-acetyl-4-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazol-1-yl]phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazol-5-yl]ethanone;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane?
The canonical SMILES for N-[[4-[5-acetyl-4-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazol-1-yl]phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazol-5-yl]ethanone;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane is C.CC(=O)c1c(N)c(C(C)C(F)(F)F)nn1-c1ccc(CN)cc1.CC(=O)c1c(N)c(C(C)C(F)(F)F)nn1-c1ccc(CNC(=O)c2cc(F)ccc2C)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-n2nc(C(C)C(F)(F)F)c(N)c2C(=O)O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-n2nc(C(C)C(F)(F)F)c(N)c2C(N)=O)cc1.
What is the InChIKey of N-[[4-[5-acetyl-4-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazol-1-yl]phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazol-5-yl]ethanone;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane?
The InChIKey is YVVOYOZRLKNAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N4O2.C22H21F4N5O2.C22H20F4N4O3.C15H17F3N4O.CH4/c1-12-4-7-16(24)10-18(12)22(33)29-11-15-5-8-17(9-6-15)31-21(14(3)32)19(28)20(30-31)13(2)23(25,26)27;1-11-3-6-14(23)9-16(11)21(33)29-10-13-4-7-15(8-5-13)31-19(20(28)32)17(27)18(30-31)12(2)22(24,25)26;1-11-3-6-14(23)9-16(11)20(31)28-10-13-4-7-15(8-5-13)30-19(21(32)33)17(27)18(29-30)12(2)22(24,25)26;1-8(15(16,17)18)13-12(20)14(9(2)23)22(21-13)11-5-3-10(7-19)4-6-11;/h4-10,13H,11,28H2,1-3H3,(H,29,33);3-9,12H,10,27H2,1-2H3,(H2,28,32)(H,29,33);3-9,12H,10,27H2,1-2H3,(H,28,31)(H,32,33);3-6,8H,7,19-20H2,1-2H3;1H4.
What are the key properties of N-[[4-[5-acetyl-4-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazol-1-yl]phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazol-5-yl]ethanone;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane?
N-[[4-[5-acetyl-4-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazol-1-yl]phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazol-5-yl]ethanone;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane has a molecular weight of 1732.67 g/mol, XLogP of 15.91, 22 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-acetyl-4-amino-3-(1,1,1-trifluoropropan-2-yl)pyrazol-1-yl]phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazol-5-yl]ethanone;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane is sourced from PubChem (CID 165104172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).