1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylic acid

C13H19N3O2 — CID 79648492

IUPAC1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylic acid
SMILESCc1ccn(C2CCC(NC3CC3)(C(=O)O)C2)n1
InChIInChI=1S/C13H19N3O2/c1-9-5-7-16(15-9)11-4-6-13(8-11,12(17)18)14-10-2-3-10/h5,7,10-11,14H,2-4,6,8H2,1H3,(H,17,18)
InChIKeyIAOOOVWIGXKMJU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.49
Rot. Bonds4

About 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylic acid

1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 79648492) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylic acid
PubChem CID79648492
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylic acid
SMILESCc1ccn(C2CCC(NC3CC3)(C(=O)O)C2)n1
InChIInChI=1S/C13H19N3O2/c1-9-5-7-16(15-9)11-4-6-13(8-11,12(17)18)14-10-2-3-10/h5,7,10-11,14H,2-4,6,8H2,1H3,(H,17,18)
InChIKeyIAOOOVWIGXKMJU-UHFFFAOYSA-N
XLogP1.49
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylate
CID 79648415
[1-(ethylamino)-3-(3-methylpyrazol-1-yl)cyclopentyl]methanol
CID 79647557
1-(cyclopropylamino)-3-indazol-1-ylcyclopentane-1-carboxylic acid
CID 79646182
1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carboxylic acid
CID 79649865
1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79649455
1-(cyclopropylamino)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentane-1-carboxylic acid
CID 79645412
1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
CID 79637825
1-(cyclopropylamino)-3-(3-methylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79649936
1-(cyclopropylamino)-3-(3-methylmorpholin-4-yl)cyclopentane-1-carboxylic acid
CID 79655261
1-(cyclopropylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclopentane-1-carboxylic acid
CID 79650770
1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79651828
1-(cyclopropylamino)-3-(2,4-dimethylphenyl)sulfanylcyclopentane-1-carboxylic acid
CID 79645241

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylic acid (CID 79648492) is 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylic acid is Cc1ccn(C2CCC(NC3CC3)(C(=O)O)C2)n1.
What is the InChIKey of 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is IAOOOVWIGXKMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-5-7-16(15-9)11-4-6-13(8-11,12(17)18)14-10-2-3-10/h5,7,10-11,14H,2-4,6,8H2,1H3,(H,17,18).
What are the key properties of 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylic acid?
1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79648492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).