1-methyl-3-(pyrrolidin-3-ylmethyl)pyrazole-5-carboxylic acid

C10H15N3O2 — CID 115092355

IUPAC1-methyl-3-(pyrrolidin-3-ylmethyl)pyrazole-5-carboxylic acid
SMILESCn1nc(CC2CCNC2)cc1C(=O)O
InChIInChI=1S/C10H15N3O2/c1-13-9(10(14)15)5-8(12-13)4-7-2-3-11-6-7/h5,7,11H,2-4,6H2,1H3,(H,14,15)
InChIKeyBJYTUHTXYBDTSN-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.27
Rot. Bonds3

About 1-methyl-3-(pyrrolidin-3-ylmethyl)pyrazole-5-carboxylic acid

1-methyl-3-(pyrrolidin-3-ylmethyl)pyrazole-5-carboxylic acid (PubChem CID 115092355) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-methyl-3-(pyrrolidin-3-ylmethyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-(pyrrolidin-3-ylmethyl)pyrazole-5-carboxylic acid
PubChem CID115092355
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-methyl-3-(pyrrolidin-3-ylmethyl)pyrazole-5-carboxylic acid
SMILESCn1nc(CC2CCNC2)cc1C(=O)O
InChIInChI=1S/C10H15N3O2/c1-13-9(10(14)15)5-8(12-13)4-7-2-3-11-6-7/h5,7,11H,2-4,6H2,1H3,(H,14,15)
InChIKeyBJYTUHTXYBDTSN-UHFFFAOYSA-N
XLogP0.27
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole
CID 83482272
1-methyl-3-(thian-4-ylmethyl)pyrazole-5-carboxylic acid
CID 115092425
1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid
CID 115092798
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxylic acid
CID 115093232
1-methyl-3-(sulfanylmethyl)pyrazole-5-carboxylic acid
CID 117215995
1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazine-2-carboxylic acid
CID 66120562
N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazole-5-carboxamide
CID 66122670
2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117133831
4-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-triazole
CID 97011669
1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 84637794
1-methyl-3-(2-pyrrolidin-3-ylethyl)pyrazol-5-amine
CID 83847502

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(pyrrolidin-3-ylmethyl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-3-(pyrrolidin-3-ylmethyl)pyrazole-5-carboxylic acid (CID 115092355) is 1-methyl-3-(pyrrolidin-3-ylmethyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-3-(pyrrolidin-3-ylmethyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-3-(pyrrolidin-3-ylmethyl)pyrazole-5-carboxylic acid is Cn1nc(CC2CCNC2)cc1C(=O)O.
What is the InChIKey of 1-methyl-3-(pyrrolidin-3-ylmethyl)pyrazole-5-carboxylic acid?
The InChIKey is BJYTUHTXYBDTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-9(10(14)15)5-8(12-13)4-7-2-3-11-6-7/h5,7,11H,2-4,6H2,1H3,(H,14,15).
What are the key properties of 1-methyl-3-(pyrrolidin-3-ylmethyl)pyrazole-5-carboxylic acid?
1-methyl-3-(pyrrolidin-3-ylmethyl)pyrazole-5-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(pyrrolidin-3-ylmethyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 115092355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).