2-chloro-4-[[(1R)-1-(1H-pyrazol-4-yl)ethyl]carbamoylamino]benzamide

C13H14ClN5O2 — CID 97244800

IUPAC2-chloro-4-[[(1R)-1-(1H-pyrazol-4-yl)ethyl]carbamoylamino]benzamide
SMILESC[C@@H](NC(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1cn[nH]c1
InChIInChI=1S/C13H14ClN5O2/c1-7(8-5-16-17-6-8)18-13(21)19-9-2-3-10(12(15)20)11(14)4-9/h2-7H,1H3,(H2,15,20)(H,16,17)(H2,18,19,21)/t7-/m1/s1
InChIKeyWJZRUIRTGKUCDZ-SSDOTTSWSA-N
MW307.74 g/mol
LogP2.04
Rot. Bonds4

About 2-chloro-4-[[(1R)-1-(1H-pyrazol-4-yl)ethyl]carbamoylamino]benzamide

2-chloro-4-[[(1R)-1-(1H-pyrazol-4-yl)ethyl]carbamoylamino]benzamide (PubChem CID 97244800) has the molecular formula C13H14ClN5O2 and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-chloro-4-[[(1R)-1-(1H-pyrazol-4-yl)ethyl]carbamoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[[(1R)-1-(1H-pyrazol-4-yl)ethyl]carbamoylamino]benzamide
PubChem CID97244800
Molecular FormulaC13H14ClN5O2
Molecular Weight307.74 g/mol
Exact Mass307.08
IUPAC Name2-chloro-4-[[(1R)-1-(1H-pyrazol-4-yl)ethyl]carbamoylamino]benzamide
SMILESC[C@@H](NC(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1cn[nH]c1
InChIInChI=1S/C13H14ClN5O2/c1-7(8-5-16-17-6-8)18-13(21)19-9-2-3-10(12(15)20)11(14)4-9/h2-7H,1H3,(H2,15,20)(H,16,17)(H2,18,19,21)/t7-/m1/s1
InChIKeyWJZRUIRTGKUCDZ-SSDOTTSWSA-N
XLogP2.04
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-[[(1R)-1-(1H-pyrazol-4-yl)ethyl]carbamoylamino]benzamide 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

methyl 2-chloro-4-(1-pyridin-4-ylethylcarbamoylamino)benzoate
CID 122140863
1-(3-methoxyphenyl)-3-[1-(1H-pyrazol-4-yl)ethyl]urea
CID 103853156
2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103855757
1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95130503
2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856631
5-hydroxy-2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]benzoic acid
CID 106215657
2-chloro-4-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]benzenecarbothioamide
CID 106217499
3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114159645
2-chloro-4-(1-thiophen-3-ylethylcarbamoylamino)benzoic acid
CID 62842850
1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(3,4-dichlorophenyl)urea
CID 61122804
1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 99841259
ethyl 2-chloro-4-[1-(4-methylphenyl)ethylcarbamothioylamino]benzoate
CID 133215297

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[(1R)-1-(1H-pyrazol-4-yl)ethyl]carbamoylamino]benzamide?
The IUPAC name of 2-chloro-4-[[(1R)-1-(1H-pyrazol-4-yl)ethyl]carbamoylamino]benzamide (CID 97244800) is 2-chloro-4-[[(1R)-1-(1H-pyrazol-4-yl)ethyl]carbamoylamino]benzamide.
What is the SMILES notation for 2-chloro-4-[[(1R)-1-(1H-pyrazol-4-yl)ethyl]carbamoylamino]benzamide?
The canonical SMILES for 2-chloro-4-[[(1R)-1-(1H-pyrazol-4-yl)ethyl]carbamoylamino]benzamide is C[C@@H](NC(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1cn[nH]c1.
What is the InChIKey of 2-chloro-4-[[(1R)-1-(1H-pyrazol-4-yl)ethyl]carbamoylamino]benzamide?
The InChIKey is WJZRUIRTGKUCDZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H14ClN5O2/c1-7(8-5-16-17-6-8)18-13(21)19-9-2-3-10(12(15)20)11(14)4-9/h2-7H,1H3,(H2,15,20)(H,16,17)(H2,18,19,21)/t7-/m1/s1.
What are the key properties of 2-chloro-4-[[(1R)-1-(1H-pyrazol-4-yl)ethyl]carbamoylamino]benzamide?
2-chloro-4-[[(1R)-1-(1H-pyrazol-4-yl)ethyl]carbamoylamino]benzamide has a molecular weight of 307.74 g/mol, XLogP of 2.04, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[(1R)-1-(1H-pyrazol-4-yl)ethyl]carbamoylamino]benzamide is sourced from PubChem (CID 97244800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).