1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid

C10H13N3O3 — CID 103116373

IUPAC1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCn1ccc(C(=O)N2CCCC2C(=O)O)n1
InChIInChI=1S/C10H13N3O3/c1-12-6-4-7(11-12)9(14)13-5-2-3-8(13)10(15)16/h4,6,8H,2-3,5H2,1H3,(H,15,16)
InChIKeyZHBDURXZMBSIJV-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.11
Rot. Bonds2

About 1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid

1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 103116373) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID103116373
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCn1ccc(C(=O)N2CCCC2C(=O)O)n1
InChIInChI=1S/C10H13N3O3/c1-12-6-4-7(11-12)9(14)13-5-2-3-8(13)10(15)16/h4,6,8H,2-3,5H2,1H3,(H,15,16)
InChIKeyZHBDURXZMBSIJV-UHFFFAOYSA-N
XLogP0.11
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(1-methylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116969
(2S)-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365692
(2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921319
[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103120402
1-(1-phenylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 119175836
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103121048
[2-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122367
1-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 82873969
(1-methylpyrazol-3-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95824417
(3R)-2-(1-methylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 103116430
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 50747341
5-[(2S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
CID 95848436

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 103116373) is 1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid is Cn1ccc(C(=O)N2CCCC2C(=O)O)n1.
What is the InChIKey of 1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZHBDURXZMBSIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-12-6-4-7(11-12)9(14)13-5-2-3-8(13)10(15)16/h4,6,8H,2-3,5H2,1H3,(H,15,16).
What are the key properties of 1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 103116373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).