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

C18H27N3O3 — CID 19500473

IUPAC2-[4-(dicyclohexylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)N(C2CCCCC2)C2CCCCC2)cn1
InChIInChI=1S/C18H27N3O3/c22-17(23)13-20-12-14(11-19-20)18(24)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h11-12,15-16H,1-10,13H2,(H,22,23)
InChIKeyWJCWJPRVKASOTR-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.08
Rot. Bonds5

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

2-[4-(dicyclohexylcarbamoyl)pyrazol-1-yl]acetic acid (PubChem CID 19500473) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[4-(dicyclohexylcarbamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(dicyclohexylcarbamoyl)pyrazol-1-yl]acetic acid
PubChem CID19500473
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-[4-(dicyclohexylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)N(C2CCCCC2)C2CCCCC2)cn1
InChIInChI=1S/C18H27N3O3/c22-17(23)13-20-12-14(11-19-20)18(24)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h11-12,15-16H,1-10,13H2,(H,22,23)
InChIKeyWJCWJPRVKASOTR-UHFFFAOYSA-N
XLogP3.08
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19621986
2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43613863
2-[cyclohexyl-[1-(difluoromethyl)pyrazole-4-carbonyl]amino]acetic acid
CID 136556229
2-[4-[cyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19502459
2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
CID 54926515
2-[4-(dipropylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19621949
1-[2-(cyclooctylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622340
2-[4-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60950282
2-[4-(thian-4-yloxy)pyrazol-1-yl]acetic acid
CID 117234187
N-(2-chloroethyl)-N-cyclohexyl-1-methylpyrazole-4-carboxamide
CID 55186075
2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
CID 61018747
1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 119443299

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dicyclohexylcarbamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(dicyclohexylcarbamoyl)pyrazol-1-yl]acetic acid (CID 19500473) is 2-[4-(dicyclohexylcarbamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(dicyclohexylcarbamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(dicyclohexylcarbamoyl)pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(C(=O)N(C2CCCCC2)C2CCCCC2)cn1.
What is the InChIKey of 2-[4-(dicyclohexylcarbamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is WJCWJPRVKASOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c22-17(23)13-20-12-14(11-19-20)18(24)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h11-12,15-16H,1-10,13H2,(H,22,23).
What are the key properties of 2-[4-(dicyclohexylcarbamoyl)pyrazol-1-yl]acetic acid?
2-[4-(dicyclohexylcarbamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 333.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dicyclohexylcarbamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19500473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).