N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-propylethane-1,2-diamine;N'-methyl-N'-[[5-(3-methylidene-4H-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;N-methyl-N-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

C87H121F4N19O5 — CID 157166569

IUPACN'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-propylethane-1,2-diamine;N'-methyl-N'-[[5-(3-methylidene-4H-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;N-methyl-N-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESC=C1COc2ccc(-c3[nH]ncc3CN(C)CCN)cc2N1.CCCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OC2CCOCC2)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OCCN2CCOCC2)cc1.CCCN(CCN)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C20H30N4O2.C20H29N3O2.C16H20F3N3.C16H21N5O.C15H21FN4/c1-3-8-23(2)16-18-15-21-22-20(18)17-4-6-19(7-5-17)26-14-11-24-9-12-25-13-10-24;1-3-4-11-23(2)15-17-14-21-22-20(17)16-5-7-18(8-6-16)25-19-9-12-24-13-10-19;1-3-4-9-22(2)11-13-10-20-21-15(13)12-5-7-14(8-6-12)16(17,18)19;1-11-10-22-15-4-3-12(7-14(15)19-11)16-13(8-18-20-16)9-21(2)6-5-17;1-2-8-20(9-7-17)11-13-10-18-19-15(13)12-3-5-14(16)6-4-12/h4-7,15H,3,8-14,16H2,1-2H3,(H,21,22);5-8,14,19H,3-4,9-13,15H2,1-2H3,(H,21,22);5-8,10H,3-4,9,11H2,1-2H3,(H,20,21);3-4,7-8,19H,1,5-6,9-10,17H2,2H3,(H,18,20);3-6,10H,2,7-9,11,17H2,1H3,(H,18,19)
InChIKeyAMZDAJRWQXQATG-UHFFFAOYSA-N
MW1589.04 g/mol
LogP14.99
Rot. Bonds35

About N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-propylethane-1,2-diamine;N'-methyl-N'-[[5-(3-methylidene-4H-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;N-methyl-N-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-propylethane-1,2-diamine;N'-methyl-N'-[[5-(3-methylidene-4H-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;N-methyl-N-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (PubChem CID 157166569) has the molecular formula C87H121F4N19O5 and a molecular weight of 1589.04 g/mol. Its IUPAC name is N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-propylethane-1,2-diamine;N'-methyl-N'-[[5-(3-methylidene-4H-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;N-methyl-N-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-propylethane-1,2-diamine;N'-methyl-N'-[[5-(3-methylidene-4H-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;N-methyl-N-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
PubChem CID157166569
Molecular FormulaC87H121F4N19O5
Molecular Weight1589.04 g/mol
Exact Mass1587.97
IUPAC NameN'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-propylethane-1,2-diamine;N'-methyl-N'-[[5-(3-methylidene-4H-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;N-methyl-N-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESC=C1COc2ccc(-c3[nH]ncc3CN(C)CCN)cc2N1.CCCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OC2CCOCC2)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OCCN2CCOCC2)cc1.CCCN(CCN)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C20H30N4O2.C20H29N3O2.C16H20F3N3.C16H21N5O.C15H21FN4/c1-3-8-23(2)16-18-15-21-22-20(18)17-4-6-19(7-5-17)26-14-11-24-9-12-25-13-10-24;1-3-4-11-23(2)15-17-14-21-22-20(17)16-5-7-18(8-6-16)25-19-9-12-24-13-10-19;1-3-4-9-22(2)11-13-10-20-21-15(13)12-5-7-14(8-6-12)16(17,18)19;1-11-10-22-15-4-3-12(7-14(15)19-11)16-13(8-18-20-16)9-21(2)6-5-17;1-2-8-20(9-7-17)11-13-10-18-19-15(13)12-3-5-14(16)6-4-12/h4-7,15H,3,8-14,16H2,1-2H3,(H,21,22);5-8,14,19H,3-4,9-13,15H2,1-2H3,(H,21,22);5-8,10H,3-4,9,11H2,1-2H3,(H,20,21);3-4,7-8,19H,1,5-6,9-10,17H2,2H3,(H,18,20);3-6,10H,2,7-9,11,17H2,1H3,(H,18,19)
InChIKeyAMZDAJRWQXQATG-UHFFFAOYSA-N
XLogP14.99
TPSA273.06 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds35
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001589.04
LogP ≤ 514.99
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-propylethane-1,2-diamine;N'-methyl-N'-[[5-(3-methylidene-4H-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;N-methyl-N-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-propylethane-1,2-diamine;N'-methyl-N'-[[5-(3-methylidene-4H-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;N-methyl-N-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The IUPAC name of N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-propylethane-1,2-diamine;N'-methyl-N'-[[5-(3-methylidene-4H-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;N-methyl-N-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (CID 157166569) is N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-propylethane-1,2-diamine;N'-methyl-N'-[[5-(3-methylidene-4H-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;N-methyl-N-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.
What is the SMILES notation for N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-propylethane-1,2-diamine;N'-methyl-N'-[[5-(3-methylidene-4H-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;N-methyl-N-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The canonical SMILES for N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-propylethane-1,2-diamine;N'-methyl-N'-[[5-(3-methylidene-4H-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;N-methyl-N-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is C=C1COc2ccc(-c3[nH]ncc3CN(C)CCN)cc2N1.CCCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OC2CCOCC2)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(OCCN2CCOCC2)cc1.CCCN(CCN)Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-propylethane-1,2-diamine;N'-methyl-N'-[[5-(3-methylidene-4H-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;N-methyl-N-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The InChIKey is AMZDAJRWQXQATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2.C20H29N3O2.C16H20F3N3.C16H21N5O.C15H21FN4/c1-3-8-23(2)16-18-15-21-22-20(18)17-4-6-19(7-5-17)26-14-11-24-9-12-25-13-10-24;1-3-4-11-23(2)15-17-14-21-22-20(17)16-5-7-18(8-6-16)25-19-9-12-24-13-10-19;1-3-4-9-22(2)11-13-10-20-21-15(13)12-5-7-14(8-6-12)16(17,18)19;1-11-10-22-15-4-3-12(7-14(15)19-11)16-13(8-18-20-16)9-21(2)6-5-17;1-2-8-20(9-7-17)11-13-10-18-19-15(13)12-3-5-14(16)6-4-12/h4-7,15H,3,8-14,16H2,1-2H3,(H,21,22);5-8,14,19H,3-4,9-13,15H2,1-2H3,(H,21,22);5-8,10H,3-4,9,11H2,1-2H3,(H,20,21);3-4,7-8,19H,1,5-6,9-10,17H2,2H3,(H,18,20);3-6,10H,2,7-9,11,17H2,1H3,(H,18,19).
What are the key properties of N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-propylethane-1,2-diamine;N'-methyl-N'-[[5-(3-methylidene-4H-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;N-methyl-N-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-propylethane-1,2-diamine;N'-methyl-N'-[[5-(3-methylidene-4H-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;N-methyl-N-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine has a molecular weight of 1589.04 g/mol, XLogP of 14.99, 35 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-propylethane-1,2-diamine;N'-methyl-N'-[[5-(3-methylidene-4H-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;N-methyl-N-[[5-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(oxan-4-yloxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 157166569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).