3-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid

C9H14N4O2 — CID 91366166

IUPAC3-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid
SMILESCn1nc(C2CCN(C(=O)O)C2)cc1N
InChIInChI=1S/C9H14N4O2/c1-12-8(10)4-7(11-12)6-2-3-13(5-6)9(14)15/h4,6H,2-3,5,10H2,1H3,(H,14,15)
InChIKeyRCGSTNZJCPIFEM-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.47
Rot. Bonds1

About 3-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid

3-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid (PubChem CID 91366166) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid
PubChem CID91366166
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid
SMILESCn1nc(C2CCN(C(=O)O)C2)cc1N
InChIInChI=1S/C9H14N4O2/c1-12-8(10)4-7(11-12)6-2-3-13(5-6)9(14)15/h4,6H,2-3,5,10H2,1H3,(H,14,15)
InChIKeyRCGSTNZJCPIFEM-UHFFFAOYSA-N
XLogP0.47
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethyl-2-methylpyrazol-3-yl)pyrrolidine-1-carboxamide
CID 72011791
N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-N'-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 72837841
3-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine
CID 165389413
3-[1-(3-Fluoropropyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine
CID 165389418
1-Methyl-3-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]pyrazol-5-amine
CID 165389419
1-methyl-3-[(3S)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]pyrazol-5-amine
CID 165389423
tert-butyl (1S,5R)-6-(3-amino-1-propan-2-ylpyrazol-5-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 134961959
(2R)-2-[5-amino-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxylic acid
CID 154036019
1-ethyl-3-[2-(1-pyrrolidinyl)ethyl]-1H-pyrazol-5-amine
CID 57516900
1-[2-[5-Amino-1-(2-methylpropyl)pyrazol-3-yl]ethyl]-3-methylurea
CID 57637017
1-(Cyclopentylmethyl)-3-propan-2-ylpyrazol-5-amine
CID 66643369
3-(1,5-Dimethylpyrazol-3-yl)pyrrolidine-1-carboxylic acid
CID 67480043

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid (CID 91366166) is 3-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid is Cn1nc(C2CCN(C(=O)O)C2)cc1N.
What is the InChIKey of 3-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is RCGSTNZJCPIFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-12-8(10)4-7(11-12)6-2-3-13(5-6)9(14)15/h4,6H,2-3,5,10H2,1H3,(H,14,15).
What are the key properties of 3-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid?
3-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 210.24 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 91366166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).