3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid

C15H18N4O3 — CID 102554735

IUPAC3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCn1ncc(C(=O)NC2CCC(C(=O)O)C2)c1-n1cccc1
InChIInChI=1S/C15H18N4O3/c1-18-14(19-6-2-3-7-19)12(9-16-18)13(20)17-11-5-4-10(8-11)15(21)22/h2-3,6-7,9-11H,4-5,8H2,1H3,(H,17,20)(H,21,22)
InChIKeyFNJBSTYQEKOYLO-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.19
Rot. Bonds4

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

3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 102554735) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID102554735
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCn1ncc(C(=O)NC2CCC(C(=O)O)C2)c1-n1cccc1
InChIInChI=1S/C15H18N4O3/c1-18-14(19-6-2-3-7-19)12(9-16-18)13(20)17-11-5-4-10(8-11)15(21)22/h2-3,6-7,9-11H,4-5,8H2,1H3,(H,17,20)(H,21,22)
InChIKeyFNJBSTYQEKOYLO-UHFFFAOYSA-N
XLogP1.19
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51076591
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60807901
4-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524602
N-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 38140397
cis-(1R,3S)-3-[[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 178198926
1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355439
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 84595206
(2R)-2-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 54991451
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 100906182
5-amino-1-methyl-N-(3-methylcyclopentyl)pyrazole-4-carboxamide
CID 114549373
cis-(1R,3S)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320903
cis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675965

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 102554735) is 3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid is Cn1ncc(C(=O)NC2CCC(C(=O)O)C2)c1-n1cccc1.
What is the InChIKey of 3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is FNJBSTYQEKOYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-18-14(19-6-2-3-7-19)12(9-16-18)13(20)17-11-5-4-10(8-11)15(21)22/h2-3,6-7,9-11H,4-5,8H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 102554735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).