[4-[[4-amino-1-(4-chlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid

C24H21ClN6O3 — CID 67406525

IUPAC[4-[[4-amino-1-(4-chlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid
SMILESNc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1ccc(CN(Cc2cccnc2)C(=O)O)cc1
InChIInChI=1S/C24H21ClN6O3/c25-19-7-9-20(10-8-19)31-15-21(26)22(29-31)28-23(32)18-5-3-16(4-6-18)13-30(24(33)34)14-17-2-1-11-27-12-17/h1-12,15H,13-14,26H2,(H,33,34)(H,28,29,32)
InChIKeyADLKCNIRMOHWAK-UHFFFAOYSA-N
MW476.92 g/mol
LogP4.44
Rot. Bonds7

About [4-[[4-amino-1-(4-chlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid

[4-[[4-amino-1-(4-chlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid (PubChem CID 67406525) has the molecular formula C24H21ClN6O3 and a molecular weight of 476.92 g/mol. Its IUPAC name is [4-[[4-amino-1-(4-chlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid.

Molecular Properties

Compound Name[4-[[4-amino-1-(4-chlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid
PubChem CID67406525
Molecular FormulaC24H21ClN6O3
Molecular Weight476.92 g/mol
Exact Mass476.14
IUPAC Name[4-[[4-amino-1-(4-chlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid
SMILESNc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1ccc(CN(Cc2cccnc2)C(=O)O)cc1
InChIInChI=1S/C24H21ClN6O3/c25-19-7-9-20(10-8-19)31-15-21(26)22(29-31)28-23(32)18-5-3-16(4-6-18)13-30(24(33)34)14-17-2-1-11-27-12-17/h1-12,15H,13-14,26H2,(H,33,34)(H,28,29,32)
InChIKeyADLKCNIRMOHWAK-UHFFFAOYSA-N
XLogP4.44
TPSA126.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.92
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [4-[[4-amino-1-(4-chlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid with MolForge

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Related Compounds

[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid
CID 68723870
4-(aminomethyl)-N-(4-amino-1-phenylpyrazol-3-yl)benzamide
CID 16738872
[4-[(4-amino-1-naphthalen-2-ylpyrazol-3-yl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate
CID 91202922
N-(4-amino-1-phenylpyrazol-3-yl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 16739102
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate
CID 57350010
pyridin-3-ylmethyl N-[[4-[[4-amino-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]phenyl]methyl]carbamate
CID 16738904
[4-[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazol-5-yl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid
CID 70655012
N-(2-aminophenyl)-4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
CID 11494562
N-(4-amino-1-phenylpyrazol-3-yl)-4-diethoxyphosphorylbenzamide
CID 25012332
[4-[(4-amino-1-thiophen-3-ylpyrazol-3-yl)carbamoyl]phenyl]methylcarbamic acid
CID 71133855
1-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)thiourea
CID 2726728
1-[(4-chlorophenyl)methyl]-3-(4-heptylphenyl)-1-(pyridin-3-ylmethyl)urea
CID 2726719

Frequently Asked Questions

What is the IUPAC name of [4-[[4-amino-1-(4-chlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid?
The IUPAC name of [4-[[4-amino-1-(4-chlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid (CID 67406525) is [4-[[4-amino-1-(4-chlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid.
What is the SMILES notation for [4-[[4-amino-1-(4-chlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid?
The canonical SMILES for [4-[[4-amino-1-(4-chlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid is Nc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1ccc(CN(Cc2cccnc2)C(=O)O)cc1.
What is the InChIKey of [4-[[4-amino-1-(4-chlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid?
The InChIKey is ADLKCNIRMOHWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O3/c25-19-7-9-20(10-8-19)31-15-21(26)22(29-31)28-23(32)18-5-3-16(4-6-18)13-30(24(33)34)14-17-2-1-11-27-12-17/h1-12,15H,13-14,26H2,(H,33,34)(H,28,29,32).
What are the key properties of [4-[[4-amino-1-(4-chlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid?
[4-[[4-amino-1-(4-chlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid has a molecular weight of 476.92 g/mol, XLogP of 4.44, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-amino-1-(4-chlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid is sourced from PubChem (CID 67406525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).