4-[[1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid

C17H19N3O3 — CID 70764751

IUPAC4-[[1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
SMILESCc1cc(C(=O)N2CCC(Cc3ccc(C(=O)O)cc3)C2)n[nH]1
InChIInChI=1S/C17H19N3O3/c1-11-8-15(19-18-11)16(21)20-7-6-13(10-20)9-12-2-4-14(5-3-12)17(22)23/h2-5,8,13H,6-7,9-10H2,1H3,(H,18,19)(H,22,23)
InChIKeyCWIDTHYIBYMMNC-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.12
Rot. Bonds4

About 4-[[1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid

4-[[1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid (PubChem CID 70764751) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-[[1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
PubChem CID70764751
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name4-[[1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
SMILESCc1cc(C(=O)N2CCC(Cc3ccc(C(=O)O)cc3)C2)n[nH]1
InChIInChI=1S/C17H19N3O3/c1-11-8-15(19-18-11)16(21)20-7-6-13(10-20)9-12-2-4-14(5-3-12)17(22)23/h2-5,8,13H,6-7,9-10H2,1H3,(H,18,19)(H,22,23)
InChIKeyCWIDTHYIBYMMNC-UHFFFAOYSA-N
XLogP2.12
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid with MolForge

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Related Compounds

4-[[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95889323
4-[[[(2R)-2-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019924
(3-aminopiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119378378
4-[[(3S)-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95870038
4-[[(3R)-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95870039
[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56905411
4-[[1-(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 70733490
4-[[(3S)-1-propan-2-yloxycarbonylpyrrolidin-3-yl]methyl]benzoic acid
CID 95866884
2-(3-benzylpyrrolidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055218
4-[[1-(4-piperidin-1-ylbenzoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 166621031
4-[[1-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 56909941
4-[[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95873674

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid?
The IUPAC name of 4-[[1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid (CID 70764751) is 4-[[1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid is Cc1cc(C(=O)N2CCC(Cc3ccc(C(=O)O)cc3)C2)n[nH]1.
What is the InChIKey of 4-[[1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid?
The InChIKey is CWIDTHYIBYMMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-8-15(19-18-11)16(21)20-7-6-13(10-20)9-12-2-4-14(5-3-12)17(22)23/h2-5,8,13H,6-7,9-10H2,1H3,(H,18,19)(H,22,23).
What are the key properties of 4-[[1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid?
4-[[1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid has a molecular weight of 313.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid is sourced from PubChem (CID 70764751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).