2-[3-[2-(cyclohexylmethyl)pentanoylamino]pyrazol-1-yl]acetic acid

C17H27N3O3 — CID 119231068

IUPAC2-[3-[2-(cyclohexylmethyl)pentanoylamino]pyrazol-1-yl]acetic acid
SMILESCCCC(CC1CCCCC1)C(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C17H27N3O3/c1-2-6-14(11-13-7-4-3-5-8-13)17(23)18-15-9-10-20(19-15)12-16(21)22/h9-10,13-14H,2-8,11-12H2,1H3,(H,21,22)(H,18,19,23)
InChIKeyRIASDAZLYXBXAS-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.29
Rot. Bonds8

About 2-[3-[2-(cyclohexylmethyl)pentanoylamino]pyrazol-1-yl]acetic acid

2-[3-[2-(cyclohexylmethyl)pentanoylamino]pyrazol-1-yl]acetic acid (PubChem CID 119231068) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[3-[2-(cyclohexylmethyl)pentanoylamino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(cyclohexylmethyl)pentanoylamino]pyrazol-1-yl]acetic acid
PubChem CID119231068
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-[3-[2-(cyclohexylmethyl)pentanoylamino]pyrazol-1-yl]acetic acid
SMILESCCCC(CC1CCCCC1)C(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C17H27N3O3/c1-2-6-14(11-13-7-4-3-5-8-13)17(23)18-15-9-10-20(19-15)12-16(21)22/h9-10,13-14H,2-8,11-12H2,1H3,(H,21,22)(H,18,19,23)
InChIKeyRIASDAZLYXBXAS-UHFFFAOYSA-N
XLogP3.29
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-(cyclopentylmethyl)butanoylamino]pyrazol-1-yl]acetic acid
CID 119230844
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-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119230903
2-[3-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 125153290
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-chloro-4-methylsulfanylphenyl)-3-cyclopentyl-N-(1-propylpyrazol-3-yl)propanamide
CID 143616634
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(cyclohexylmethyl)pentanoylamino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[2-(cyclohexylmethyl)pentanoylamino]pyrazol-1-yl]acetic acid (CID 119231068) is 2-[3-[2-(cyclohexylmethyl)pentanoylamino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[2-(cyclohexylmethyl)pentanoylamino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[2-(cyclohexylmethyl)pentanoylamino]pyrazol-1-yl]acetic acid is CCCC(CC1CCCCC1)C(=O)Nc1ccn(CC(=O)O)n1.
What is the InChIKey of 2-[3-[2-(cyclohexylmethyl)pentanoylamino]pyrazol-1-yl]acetic acid?
The InChIKey is RIASDAZLYXBXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-2-6-14(11-13-7-4-3-5-8-13)17(23)18-15-9-10-20(19-15)12-16(21)22/h9-10,13-14H,2-8,11-12H2,1H3,(H,21,22)(H,18,19,23).
What are the key properties of 2-[3-[2-(cyclohexylmethyl)pentanoylamino]pyrazol-1-yl]acetic acid?
2-[3-[2-(cyclohexylmethyl)pentanoylamino]pyrazol-1-yl]acetic acid has a molecular weight of 321.42 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(cyclohexylmethyl)pentanoylamino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119231068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).