5-(1-methylpyrrolidin-3-yl)-1H-pyrazole-3-carboxylic acid

C9H13N3O2 — CID 115020200

IUPAC5-(1-methylpyrrolidin-3-yl)-1H-pyrazole-3-carboxylic acid
SMILESCN1CCC(c2cc(C(=O)O)n[nH]2)C1
InChIInChI=1S/C9H13N3O2/c1-12-3-2-6(5-12)7-4-8(9(13)14)11-10-7/h4,6H,2-3,5H2,1H3,(H,10,11)(H,13,14)
InChIKeyUSZJORBCLHBHPV-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.53
Rot. Bonds2

About 5-(1-methylpyrrolidin-3-yl)-1H-pyrazole-3-carboxylic acid

5-(1-methylpyrrolidin-3-yl)-1H-pyrazole-3-carboxylic acid (PubChem CID 115020200) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-(1-methylpyrrolidin-3-yl)-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-methylpyrrolidin-3-yl)-1H-pyrazole-3-carboxylic acid
PubChem CID115020200
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name5-(1-methylpyrrolidin-3-yl)-1H-pyrazole-3-carboxylic acid
SMILESCN1CCC(c2cc(C(=O)O)n[nH]2)C1
InChIInChI=1S/C9H13N3O2/c1-12-3-2-6(5-12)7-4-8(9(13)14)11-10-7/h4,6H,2-3,5H2,1H3,(H,10,11)(H,13,14)
InChIKeyUSZJORBCLHBHPV-UHFFFAOYSA-N
XLogP0.53
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid
CID 115092280
5-(1-ethylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid
CID 115092279
5-piperidin-4-yl-1H-pyrazole-3-carboxylic acid
CID 83409074
5-[1-(2-cyclopropylmorpholine-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylic acid
CID 166290611
5-[1-(cyclohexylmethylsulfonyl)azetidin-3-yl]-1H-pyrazole-3-carboxylic acid
CID 136572010
5-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]-1H-pyrazole-3-carboxylic acid
CID 166290612
1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone
CID 115092508
5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate
CID 162018519
5-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carbaldehyde
CID 115092267
methyl 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate
CID 166284523
5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole
CID 116856668
6-methoxy-2-(1-methylpyrrolidin-3-yl)pyrimidine-4-carboxylic acid
CID 116862342

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrrolidin-3-yl)-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-(1-methylpyrrolidin-3-yl)-1H-pyrazole-3-carboxylic acid (CID 115020200) is 5-(1-methylpyrrolidin-3-yl)-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(1-methylpyrrolidin-3-yl)-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(1-methylpyrrolidin-3-yl)-1H-pyrazole-3-carboxylic acid is CN1CCC(c2cc(C(=O)O)n[nH]2)C1.
What is the InChIKey of 5-(1-methylpyrrolidin-3-yl)-1H-pyrazole-3-carboxylic acid?
The InChIKey is USZJORBCLHBHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-3-2-6(5-12)7-4-8(9(13)14)11-10-7/h4,6H,2-3,5H2,1H3,(H,10,11)(H,13,14).
What are the key properties of 5-(1-methylpyrrolidin-3-yl)-1H-pyrazole-3-carboxylic acid?
5-(1-methylpyrrolidin-3-yl)-1H-pyrazole-3-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrrolidin-3-yl)-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 115020200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).