1-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid

C18H21N3O3 — CID 120515048

IUPAC1-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(-n2nc(C(=O)NC3(C(=O)O)CCCC3)cc2C)cc1
InChIInChI=1S/C18H21N3O3/c1-12-5-7-14(8-6-12)21-13(2)11-15(20-21)16(22)19-18(17(23)24)9-3-4-10-18/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,22)(H,23,24)
InChIKeySYUYPIFSXKSQOF-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.62
Rot. Bonds4

About 1-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid

1-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120515048) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120515048
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(-n2nc(C(=O)NC3(C(=O)O)CCCC3)cc2C)cc1
InChIInChI=1S/C18H21N3O3/c1-12-5-7-14(8-6-12)21-13(2)11-15(20-21)16(22)19-18(17(23)24)9-3-4-10-18/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,22)(H,23,24)
InChIKeySYUYPIFSXKSQOF-UHFFFAOYSA-N
XLogP2.62
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]oxolane-3-carboxylic acid
CID 120532707
4-[[1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carbonyl]amino]thiane-4-carboxylic acid
CID 120531150
N-(3-cyanothiolan-3-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 75446744
1-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119128240
4-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]oxane-4-carboxylic acid
CID 72884900
5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372798
4-methyl-4-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]pentanoic acid
CID 120519400
1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28779309
1-[[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 119350616
5-methyl-1-phenyl-N-(1-pyrrolidin-3-ylcyclopropyl)pyrazole-3-carboxamide
CID 136573031
5-methyl-1-(4-methylphenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide
CID 146126262
1-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid
CID 120538733

Frequently Asked Questions

What is the IUPAC name of 1-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 120515048) is 1-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid is Cc1ccc(-n2nc(C(=O)NC3(C(=O)O)CCCC3)cc2C)cc1.
What is the InChIKey of 1-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is SYUYPIFSXKSQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-5-7-14(8-6-12)21-13(2)11-15(20-21)16(22)19-18(17(23)24)9-3-4-10-18/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,22)(H,23,24).
What are the key properties of 1-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
1-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120515048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).