1-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid

C16H17FN4O3 — CID 120529527

IUPAC1-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCC(F)(C(=O)O)C3)cn2)n1
InChIInChI=1S/C16H17FN4O3/c1-10-7-11(2)21(19-10)13-4-3-12(8-18-13)14(22)20-6-5-16(17,9-20)15(23)24/h3-4,7-8H,5-6,9H2,1-2H3,(H,23,24)
InChIKeyYJQWQNQTIWLDCC-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.52
Rot. Bonds3

About 1-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid

1-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 120529527) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID120529527
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name1-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCC(F)(C(=O)O)C3)cn2)n1
InChIInChI=1S/C16H17FN4O3/c1-10-7-11(2)21(19-10)13-4-3-12(8-18-13)14(22)20-6-5-16(17,9-20)15(23)24/h3-4,7-8H,5-6,9H2,1-2H3,(H,23,24)
InChIKeyYJQWQNQTIWLDCC-UHFFFAOYSA-N
XLogP1.52
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[(7S)-7-methyl-1,4-thiazepan-4-yl]methanone
CID 99833538
1-(3,4-dimethylbenzoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259545
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023380
3-fluoro-1-(4-fluoro-3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119257992
3-fluoro-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258190
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397753
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone
CID 119472573
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55917792
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55862399
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119472572
3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142818
propan-2-yl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644847

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid (CID 120529527) is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid is Cc1cc(C)n(-c2ccc(C(=O)N3CCC(F)(C(=O)O)C3)cn2)n1.
What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is YJQWQNQTIWLDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c1-10-7-11(2)21(19-10)13-4-3-12(8-18-13)14(22)20-6-5-16(17,9-20)15(23)24/h3-4,7-8H,5-6,9H2,1-2H3,(H,23,24).
What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid?
1-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 332.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120529527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).