1-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

C19H23N3O3 — CID 120544737

IUPAC1-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCCC1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H23N3O3/c23-17(20-14-19(18(24)25)9-5-2-6-10-19)16-11-21-22(13-16)12-15-7-3-1-4-8-15/h1,3-4,7-8,11,13H,2,5-6,9-10,12,14H2,(H,20,23)(H,24,25)
InChIKeyYGHQRUPUQSJICO-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.70
Rot. Bonds6

About 1-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

1-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 120544737) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID120544737
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCCC1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H23N3O3/c23-17(20-14-19(18(24)25)9-5-2-6-10-19)16-11-21-22(13-16)12-15-7-3-1-4-8-15/h1,3-4,7-8,11,13H,2,5-6,9-10,12,14H2,(H,20,23)(H,24,25)
InChIKeyYGHQRUPUQSJICO-UHFFFAOYSA-N
XLogP2.70
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid 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

1-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]pyrazole-4-carboxamide
CID 56796959
1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361803
1-benzyl-N-(1-cyanocyclohexyl)pyrazole-4-carboxamide
CID 78830290
1-benzylpyrazole-4-carbohydrazide
CID 83386286
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
1-benzyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide
CID 18157170
1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119501619
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
1-[[(6-chloropyridine-3-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443369
1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 27554728
1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide
CID 111102491
1-[[[4-(hydroxymethyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115435645

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 120544737) is 1-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCCCC1)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is YGHQRUPUQSJICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-17(20-14-19(18(24)25)9-5-2-6-10-19)16-11-21-22(13-16)12-15-7-3-1-4-8-15/h1,3-4,7-8,11,13H,2,5-6,9-10,12,14H2,(H,20,23)(H,24,25).
What are the key properties of 1-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120544737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).