2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid

C14H21N3O3 — CID 19621986

IUPAC2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)NC2CCCCCCC2)cn1
InChIInChI=1S/C14H21N3O3/c18-13(19)10-17-9-11(8-15-17)14(20)16-12-6-4-2-1-3-5-7-12/h8-9,12H,1-7,10H2,(H,16,20)(H,18,19)
InChIKeyXTDXKCZAPWBNSA-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.81
Rot. Bonds4

About 2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid

2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid (PubChem CID 19621986) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid
PubChem CID19621986
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)NC2CCCCCCC2)cn1
InChIInChI=1S/C14H21N3O3/c18-13(19)10-17-9-11(8-15-17)14(20)16-12-6-4-2-1-3-5-7-12/h8-9,12H,1-7,10H2,(H,16,20)(H,18,19)
InChIKeyXTDXKCZAPWBNSA-UHFFFAOYSA-N
XLogP1.81
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic 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

3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622223
1-[2-(cyclooctylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622340
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 119502724
4-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]pentanoic acid
CID 120534951
2-[4-(dicyclohexylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19500473
N-[2-(aminomethyl)cyclohexyl]-1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxamide;hydrochloride
CID 119611274
2-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 119348304
(2R)-2-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]-2-phenylacetic acid
CID 119367660
1-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119447622
1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide
CID 25392689
2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622105

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid (CID 19621986) is 2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(C(=O)NC2CCCCCCC2)cn1.
What is the InChIKey of 2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is XTDXKCZAPWBNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c18-13(19)10-17-9-11(8-15-17)14(20)16-12-6-4-2-1-3-5-7-12/h8-9,12H,1-7,10H2,(H,16,20)(H,18,19).
What are the key properties of 2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid?
2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19621986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).