1-[(1H-pyrazole-4-carbonylamino)methyl]cycloheptane-1-carboxylic acid

C13H19N3O3 — CID 113310740

IUPAC1-[(1H-pyrazole-4-carbonylamino)methyl]cycloheptane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCCCC1)c1cn[nH]c1
InChIInChI=1S/C13H19N3O3/c17-11(10-7-15-16-8-10)14-9-13(12(18)19)5-3-1-2-4-6-13/h7-8H,1-6,9H2,(H,14,17)(H,15,16)(H,18,19)
InChIKeyORZRMCGWHOFAFP-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.56
Rot. Bonds4

About 1-[(1H-pyrazole-4-carbonylamino)methyl]cycloheptane-1-carboxylic acid

1-[(1H-pyrazole-4-carbonylamino)methyl]cycloheptane-1-carboxylic acid (PubChem CID 113310740) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[(1H-pyrazole-4-carbonylamino)methyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1H-pyrazole-4-carbonylamino)methyl]cycloheptane-1-carboxylic acid
PubChem CID113310740
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[(1H-pyrazole-4-carbonylamino)methyl]cycloheptane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCCCC1)c1cn[nH]c1
InChIInChI=1S/C13H19N3O3/c17-11(10-7-15-16-8-10)14-9-13(12(18)19)5-3-1-2-4-6-13/h7-8H,1-6,9H2,(H,14,17)(H,15,16)(H,18,19)
InChIKeyORZRMCGWHOFAFP-UHFFFAOYSA-N
XLogP1.56
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1H-pyrazole-4-carbonylamino)methyl]cycloheptane-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

N-[[1-(bromomethyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide
CID 103969790
1-[[(6-chloropyridine-3-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443369
1-[[(3,5-difluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435644
1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361803
1-[[[4-(hydroxymethyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115435645
1-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115432875
1-[[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544269
1-[[(3,4-dihydroxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107728192
1-[[(5-fluoropyridine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 104638379
1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443395
1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445281
1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433634

Frequently Asked Questions

What is the IUPAC name of 1-[(1H-pyrazole-4-carbonylamino)methyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(1H-pyrazole-4-carbonylamino)methyl]cycloheptane-1-carboxylic acid (CID 113310740) is 1-[(1H-pyrazole-4-carbonylamino)methyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(1H-pyrazole-4-carbonylamino)methyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(1H-pyrazole-4-carbonylamino)methyl]cycloheptane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCCCCC1)c1cn[nH]c1.
What is the InChIKey of 1-[(1H-pyrazole-4-carbonylamino)methyl]cycloheptane-1-carboxylic acid?
The InChIKey is ORZRMCGWHOFAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-11(10-7-15-16-8-10)14-9-13(12(18)19)5-3-1-2-4-6-13/h7-8H,1-6,9H2,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 1-[(1H-pyrazole-4-carbonylamino)methyl]cycloheptane-1-carboxylic acid?
1-[(1H-pyrazole-4-carbonylamino)methyl]cycloheptane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1H-pyrazole-4-carbonylamino)methyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 113310740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).