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

C15H23N3O3 — CID 19622105

IUPAC2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(C(=O)NC2CCCCCCC2)cn1
InChIInChI=1S/C15H23N3O3/c1-11(15(20)21)18-10-12(9-16-18)14(19)17-13-7-5-3-2-4-6-8-13/h9-11,13H,2-8H2,1H3,(H,17,19)(H,20,21)
InChIKeyRCVZMDCEDGAEJT-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.37
Rot. Bonds4

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

2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 19622105) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
PubChem CID19622105
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(C(=O)NC2CCCCCCC2)cn1
InChIInChI=1S/C15H23N3O3/c1-11(15(20)21)18-10-12(9-16-18)14(19)17-13-7-5-3-2-4-6-8-13/h9-11,13H,2-8H2,1H3,(H,17,19)(H,20,21)
InChIKeyRCVZMDCEDGAEJT-UHFFFAOYSA-N
XLogP2.37
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylate
CID 81495464
2-[4-(oxolan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622066
2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide
CID 154834581
2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19621986
(2S)-N-cyclopentyl-2-(4-iodopyrazol-1-yl)propanamide
CID 124507498
3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622223
2-(4-carbamoylpyrazol-1-yl)propanoic acid
CID 19623315
2-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 119348304
2-[4-(3-methylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
CID 19622063
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
2-[4-[(2,6-dichlorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502901
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504805

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid (CID 19622105) is 2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1cc(C(=O)NC2CCCCCCC2)cn1.
What is the InChIKey of 2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is RCVZMDCEDGAEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(15(20)21)18-10-12(9-16-18)14(19)17-13-7-5-3-2-4-6-8-13/h9-11,13H,2-8H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid?
2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 293.37 g/mol, XLogP of 2.37, 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]propanoic acid is sourced from PubChem (CID 19622105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).