5-(aminomethyl)-1-[(1-cyclopentylpyrazol-3-yl)methyl]triazole-4-carboxylic acid

C13H18N6O2 — CID 103121957

IUPAC5-(aminomethyl)-1-[(1-cyclopentylpyrazol-3-yl)methyl]triazole-4-carboxylic acid
SMILESNCc1c(C(=O)O)nnn1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H18N6O2/c14-7-11-12(13(20)21)15-17-19(11)8-9-5-6-18(16-9)10-3-1-2-4-10/h5-6,10H,1-4,7-8,14H2,(H,20,21)
InChIKeyMPSWZOGKPDRJDO-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.79
Rot. Bonds5

About 5-(aminomethyl)-1-[(1-cyclopentylpyrazol-3-yl)methyl]triazole-4-carboxylic acid

5-(aminomethyl)-1-[(1-cyclopentylpyrazol-3-yl)methyl]triazole-4-carboxylic acid (PubChem CID 103121957) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-(aminomethyl)-1-[(1-cyclopentylpyrazol-3-yl)methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)-1-[(1-cyclopentylpyrazol-3-yl)methyl]triazole-4-carboxylic acid
PubChem CID103121957
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name5-(aminomethyl)-1-[(1-cyclopentylpyrazol-3-yl)methyl]triazole-4-carboxylic acid
SMILESNCc1c(C(=O)O)nnn1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H18N6O2/c14-7-11-12(13(20)21)15-17-19(11)8-9-5-6-18(16-9)10-3-1-2-4-10/h5-6,10H,1-4,7-8,14H2,(H,20,21)
InChIKeyMPSWZOGKPDRJDO-UHFFFAOYSA-N
XLogP0.79
TPSA111.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(aminomethyl)-1-[(1-cyclopentylpyrazol-3-yl)methyl]triazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-ethyltriazole-4-carboxylic acid
CID 64778276
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 64785538
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid
CID 64785188
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 64783454
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64784230
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid
CID 64784425
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
CID 106702721
4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide
CID 75382047
1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83191883
2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487284
2-[(2-amino-2-oxoethyl)-[(1-cyclohexylpyrazol-3-yl)methyl]amino]acetic acid
CID 107440267
5-(aminomethyl)-1-(oxan-2-ylmethyl)triazole-4-carboxylic acid
CID 103121895

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-[(1-cyclopentylpyrazol-3-yl)methyl]triazole-4-carboxylic acid?
The IUPAC name of 5-(aminomethyl)-1-[(1-cyclopentylpyrazol-3-yl)methyl]triazole-4-carboxylic acid (CID 103121957) is 5-(aminomethyl)-1-[(1-cyclopentylpyrazol-3-yl)methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 5-(aminomethyl)-1-[(1-cyclopentylpyrazol-3-yl)methyl]triazole-4-carboxylic acid?
The canonical SMILES for 5-(aminomethyl)-1-[(1-cyclopentylpyrazol-3-yl)methyl]triazole-4-carboxylic acid is NCc1c(C(=O)O)nnn1Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 5-(aminomethyl)-1-[(1-cyclopentylpyrazol-3-yl)methyl]triazole-4-carboxylic acid?
The InChIKey is MPSWZOGKPDRJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c14-7-11-12(13(20)21)15-17-19(11)8-9-5-6-18(16-9)10-3-1-2-4-10/h5-6,10H,1-4,7-8,14H2,(H,20,21).
What are the key properties of 5-(aminomethyl)-1-[(1-cyclopentylpyrazol-3-yl)methyl]triazole-4-carboxylic acid?
5-(aminomethyl)-1-[(1-cyclopentylpyrazol-3-yl)methyl]triazole-4-carboxylic acid has a molecular weight of 290.33 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-[(1-cyclopentylpyrazol-3-yl)methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 103121957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).