2-[3-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid

C18H21N3O3 — CID 119230634

IUPAC2-[3-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid
SMILESCc1cccc(C2(C(=O)Nc3ccn(CC(=O)O)n3)CCCC2)c1
InChIInChI=1S/C18H21N3O3/c1-13-5-4-6-14(11-13)18(8-2-3-9-18)17(24)19-15-7-10-21(20-15)12-16(22)23/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,22,23)(H,19,20,24)
InChIKeyHPCITRARIGXIRM-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.73
Rot. Bonds5

About 2-[3-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 119230634) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[3-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid
PubChem CID119230634
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-[3-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid
SMILESCc1cccc(C2(C(=O)Nc3ccn(CC(=O)O)n3)CCCC2)c1
InChIInChI=1S/C18H21N3O3/c1-13-5-4-6-14(11-13)18(8-2-3-9-18)17(24)19-15-7-10-21(20-15)12-16(22)23/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,22,23)(H,19,20,24)
InChIKeyHPCITRARIGXIRM-UHFFFAOYSA-N
XLogP2.73
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 119231028
2-[3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 119231223
2-[3-[[1-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 126786946
1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542569
4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid
CID 119170628
N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 4653745
1-(4-chlorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclopentane-1-carboxamide
CID 47088976
2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
CID 119230770
N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide
CID 110439493
N-[(1-hydroxycyclobutyl)methyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 111445825
N-(1-ethylpyrazol-3-yl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 75537630
1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449997

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid (CID 119230634) is 2-[3-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid is Cc1cccc(C2(C(=O)Nc3ccn(CC(=O)O)n3)CCCC2)c1.
What is the InChIKey of 2-[3-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is HPCITRARIGXIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-5-4-6-14(11-13)18(8-2-3-9-18)17(24)19-15-7-10-21(20-15)12-16(22)23/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,22,23)(H,19,20,24).
What are the key properties of 2-[3-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 327.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119230634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).