3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid

C15H23N3O3 — CID 19622223

IUPAC3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(C(=O)NC2CCCCCCC2)cn1
InChIInChI=1S/C15H23N3O3/c19-14(20)8-9-18-11-12(10-16-18)15(21)17-13-6-4-2-1-3-5-7-13/h10-11,13H,1-9H2,(H,17,21)(H,19,20)
InChIKeyGSJGAIWXPWIFPQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.20
Rot. Bonds5

About 3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid

3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 19622223) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
PubChem CID19622223
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(C(=O)NC2CCCCCCC2)cn1
InChIInChI=1S/C15H23N3O3/c19-14(20)8-9-18-11-12(10-16-18)15(21)17-13-6-4-2-1-3-5-7-13/h10-11,13H,1-9H2,(H,17,21)(H,19,20)
InChIKeyGSJGAIWXPWIFPQ-UHFFFAOYSA-N
XLogP2.20
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19621986
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
4-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]pentanoic acid
CID 120534951
4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524563
1-[3-(cyclopropylamino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622515
1-[2-(cyclooctylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622340
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 119502724
3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide
CID 19561744
1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide
CID 25392689
2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622105
3-[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622268
1-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119447622

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid (CID 19622223) is 3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid is O=C(O)CCn1cc(C(=O)NC2CCCCCCC2)cn1.
What is the InChIKey of 3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is GSJGAIWXPWIFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c19-14(20)8-9-18-11-12(10-16-18)15(21)17-13-6-4-2-1-3-5-7-13/h10-11,13H,1-9H2,(H,17,21)(H,19,20).
What are the key properties of 3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid?
3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 293.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19622223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).