2-[3-[2-(cyclopentylmethyl)butanoylamino]pyrazol-1-yl]acetic acid

C15H23N3O3 — CID 119230844

IUPAC2-[3-[2-(cyclopentylmethyl)butanoylamino]pyrazol-1-yl]acetic acid
SMILESCCC(CC1CCCC1)C(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C15H23N3O3/c1-2-12(9-11-5-3-4-6-11)15(21)16-13-7-8-18(17-13)10-14(19)20/h7-8,11-12H,2-6,9-10H2,1H3,(H,19,20)(H,16,17,21)
InChIKeyAVTLDBYACHMPNX-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.51
Rot. Bonds7

About 2-[3-[2-(cyclopentylmethyl)butanoylamino]pyrazol-1-yl]acetic acid

2-[3-[2-(cyclopentylmethyl)butanoylamino]pyrazol-1-yl]acetic acid (PubChem CID 119230844) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[3-[2-(cyclopentylmethyl)butanoylamino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(cyclopentylmethyl)butanoylamino]pyrazol-1-yl]acetic acid
PubChem CID119230844
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[3-[2-(cyclopentylmethyl)butanoylamino]pyrazol-1-yl]acetic acid
SMILESCCC(CC1CCCC1)C(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C15H23N3O3/c1-2-12(9-11-5-3-4-6-11)15(21)16-13-7-8-18(17-13)10-14(19)20/h7-8,11-12H,2-6,9-10H2,1H3,(H,19,20)(H,16,17,21)
InChIKeyAVTLDBYACHMPNX-UHFFFAOYSA-N
XLogP2.51
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-(cyclohexylmethyl)pentanoylamino]pyrazol-1-yl]acetic acid
CID 119231068
2-[3-[[3-cyclopentyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanoyl]amino]pyrazol-1-yl]acetic acid
CID 67313919
2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
CID 119230770
2-[3-(4-ethoxybutanoylamino)pyrazol-1-yl]acetic acid
CID 119231036
2-[3-[[2-[(2R)-oxan-2-yl]acetyl]amino]pyrazol-1-yl]acetic acid
CID 129402351
2-[3-(thiane-4-carbonylamino)pyrazol-1-yl]acetic acid
CID 120524678
2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230901
N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentylpropanamide
CID 143616656
2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid
CID 119230833
2-[3-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]pyrazol-1-yl]acetic acid
CID 119231075
3-[[4-[2-(cyclopentylmethyl)butanoylamino]benzoyl]amino]propanoic acid
CID 119222956
N-(6-amino-3-pyridinyl)-2-(cyclopentylmethyl)butanamide;hydrochloride
CID 119515073

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(cyclopentylmethyl)butanoylamino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[2-(cyclopentylmethyl)butanoylamino]pyrazol-1-yl]acetic acid (CID 119230844) is 2-[3-[2-(cyclopentylmethyl)butanoylamino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[2-(cyclopentylmethyl)butanoylamino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[2-(cyclopentylmethyl)butanoylamino]pyrazol-1-yl]acetic acid is CCC(CC1CCCC1)C(=O)Nc1ccn(CC(=O)O)n1.
What is the InChIKey of 2-[3-[2-(cyclopentylmethyl)butanoylamino]pyrazol-1-yl]acetic acid?
The InChIKey is AVTLDBYACHMPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-12(9-11-5-3-4-6-11)15(21)16-13-7-8-18(17-13)10-14(19)20/h7-8,11-12H,2-6,9-10H2,1H3,(H,19,20)(H,16,17,21).
What are the key properties of 2-[3-[2-(cyclopentylmethyl)butanoylamino]pyrazol-1-yl]acetic acid?
2-[3-[2-(cyclopentylmethyl)butanoylamino]pyrazol-1-yl]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(cyclopentylmethyl)butanoylamino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119230844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).