4-amino-1-[4-[[(2-cyclopropyloxy-5-fluorobenzoyl)amino]methyl]-2-ethoxyphenyl]-3-propan-2-ylpyrazole-5-carboxamide;methane

C27H34FN5O4 — CID 165053519

IUPAC4-amino-1-[4-[[(2-cyclopropyloxy-5-fluorobenzoyl)amino]methyl]-2-ethoxyphenyl]-3-propan-2-ylpyrazole-5-carboxamide;methane
SMILESC.CCOc1cc(CNC(=O)c2cc(F)ccc2OC2CC2)ccc1-n1nc(C(C)C)c(N)c1C(N)=O
InChIInChI=1S/C26H30FN5O4.CH4/c1-4-35-21-11-15(5-9-19(21)32-24(25(29)33)22(28)23(31-32)14(2)3)13-30-26(34)18-12-16(27)6-10-20(18)36-17-7-8-17;/h5-6,9-12,14,17H,4,7-8,13,28H2,1-3H3,(H2,29,33)(H,30,34);1H4
InChIKeyQAQSBSWRWZVUAD-UHFFFAOYSA-N
MW511.60 g/mol
LogP4.32
Rot. Bonds10

About 4-amino-1-[4-[[(2-cyclopropyloxy-5-fluorobenzoyl)amino]methyl]-2-ethoxyphenyl]-3-propan-2-ylpyrazole-5-carboxamide;methane

4-amino-1-[4-[[(2-cyclopropyloxy-5-fluorobenzoyl)amino]methyl]-2-ethoxyphenyl]-3-propan-2-ylpyrazole-5-carboxamide;methane (PubChem CID 165053519) has the molecular formula C27H34FN5O4 and a molecular weight of 511.60 g/mol. Its IUPAC name is 4-amino-1-[4-[[(2-cyclopropyloxy-5-fluorobenzoyl)amino]methyl]-2-ethoxyphenyl]-3-propan-2-ylpyrazole-5-carboxamide;methane.

Molecular Properties

Compound Name4-amino-1-[4-[[(2-cyclopropyloxy-5-fluorobenzoyl)amino]methyl]-2-ethoxyphenyl]-3-propan-2-ylpyrazole-5-carboxamide;methane
PubChem CID165053519
Molecular FormulaC27H34FN5O4
Molecular Weight511.60 g/mol
Exact Mass511.26
IUPAC Name4-amino-1-[4-[[(2-cyclopropyloxy-5-fluorobenzoyl)amino]methyl]-2-ethoxyphenyl]-3-propan-2-ylpyrazole-5-carboxamide;methane
SMILESC.CCOc1cc(CNC(=O)c2cc(F)ccc2OC2CC2)ccc1-n1nc(C(C)C)c(N)c1C(N)=O
InChIInChI=1S/C26H30FN5O4.CH4/c1-4-35-21-11-15(5-9-19(21)32-24(25(29)33)22(28)23(31-32)14(2)3)13-30-26(34)18-12-16(27)6-10-20(18)36-17-7-8-17;/h5-6,9-12,14,17H,4,7-8,13,28H2,1-3H3,(H2,29,33)(H,30,34);1H4
InChIKeyQAQSBSWRWZVUAD-UHFFFAOYSA-N
XLogP4.32
TPSA134.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.60
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-1-[4-[[(2-cyclopropyloxy-5-fluorobenzoyl)amino]methyl]-2-ethoxyphenyl]-3-propan-2-ylpyrazole-5-carboxamide;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-[2-ethoxy-6-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 164784326
4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide
CID 164993057
4-amino-1-(4-ethyl-2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 165044159
4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-(oxolan-3-yl)pyrazole-5-carboxamide
CID 164784429
4-amino-1-(4-bromo-2-ethoxy-6-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 164784464
4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(4-hydroxycyclohexyl)pyrazole-5-carboxamide;methane
CID 164992271
4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide
CID 165036856
1-(2,4-difluorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 86951630
4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid
CID 164784378
4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 164960405
4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxylic acid;methane
CID 165004214
3-amino-2-cyclopentyl-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide
CID 163288215

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[[(2-cyclopropyloxy-5-fluorobenzoyl)amino]methyl]-2-ethoxyphenyl]-3-propan-2-ylpyrazole-5-carboxamide;methane?
The IUPAC name of 4-amino-1-[4-[[(2-cyclopropyloxy-5-fluorobenzoyl)amino]methyl]-2-ethoxyphenyl]-3-propan-2-ylpyrazole-5-carboxamide;methane (CID 165053519) is 4-amino-1-[4-[[(2-cyclopropyloxy-5-fluorobenzoyl)amino]methyl]-2-ethoxyphenyl]-3-propan-2-ylpyrazole-5-carboxamide;methane.
What is the SMILES notation for 4-amino-1-[4-[[(2-cyclopropyloxy-5-fluorobenzoyl)amino]methyl]-2-ethoxyphenyl]-3-propan-2-ylpyrazole-5-carboxamide;methane?
The canonical SMILES for 4-amino-1-[4-[[(2-cyclopropyloxy-5-fluorobenzoyl)amino]methyl]-2-ethoxyphenyl]-3-propan-2-ylpyrazole-5-carboxamide;methane is C.CCOc1cc(CNC(=O)c2cc(F)ccc2OC2CC2)ccc1-n1nc(C(C)C)c(N)c1C(N)=O.
What is the InChIKey of 4-amino-1-[4-[[(2-cyclopropyloxy-5-fluorobenzoyl)amino]methyl]-2-ethoxyphenyl]-3-propan-2-ylpyrazole-5-carboxamide;methane?
The InChIKey is QAQSBSWRWZVUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O4.CH4/c1-4-35-21-11-15(5-9-19(21)32-24(25(29)33)22(28)23(31-32)14(2)3)13-30-26(34)18-12-16(27)6-10-20(18)36-17-7-8-17;/h5-6,9-12,14,17H,4,7-8,13,28H2,1-3H3,(H2,29,33)(H,30,34);1H4.
What are the key properties of 4-amino-1-[4-[[(2-cyclopropyloxy-5-fluorobenzoyl)amino]methyl]-2-ethoxyphenyl]-3-propan-2-ylpyrazole-5-carboxamide;methane?
4-amino-1-[4-[[(2-cyclopropyloxy-5-fluorobenzoyl)amino]methyl]-2-ethoxyphenyl]-3-propan-2-ylpyrazole-5-carboxamide;methane has a molecular weight of 511.60 g/mol, XLogP of 4.32, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[[(2-cyclopropyloxy-5-fluorobenzoyl)amino]methyl]-2-ethoxyphenyl]-3-propan-2-ylpyrazole-5-carboxamide;methane is sourced from PubChem (CID 165053519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).