2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-amine

C15H18N6 — CID 63998552

IUPAC2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cn(Cc2cnn(-c3ccccc3)c2)nn1
InChIInChI=1S/C15H18N6/c1-15(2,16)14-11-20(19-18-14)9-12-8-17-21(10-12)13-6-4-3-5-7-13/h3-8,10-11H,9,16H2,1-2H3
InChIKeyGCHDSDZDLPKNQM-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.71
Rot. Bonds4

About 2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-amine

2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-amine (PubChem CID 63998552) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-amine
PubChem CID63998552
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cn(Cc2cnn(-c3ccccc3)c2)nn1
InChIInChI=1S/C15H18N6/c1-15(2,16)14-11-20(19-18-14)9-12-8-17-21(10-12)13-6-4-3-5-7-13/h3-8,10-11H,9,16H2,1-2H3
InChIKeyGCHDSDZDLPKNQM-UHFFFAOYSA-N
XLogP1.71
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-amine 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

N-[2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-yl]acetamide
CID 167860304
2-(1-phenyltriazol-4-yl)propan-2-amine
CID 63997710
2-(1-phenyltriazol-4-yl)propan-2-amine;hydrochloride
CID 71755859
2-[1-(3-phenylpropyl)triazol-4-yl]propan-2-amine
CID 63999545
1-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxylic acid
CID 43565278
2-[1-[(5-bromo-3-pyridinyl)methyl]triazol-4-yl]propan-2-amine
CID 104810232
2-[1-(quinolin-4-ylmethyl)triazol-4-yl]propan-2-amine
CID 79240875
1-phenyl-4-propylpyrazole
CID 12902534
2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 16790422
2-[1-(4-ethylphenyl)triazol-4-yl]propan-2-amine
CID 63998100
1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole
CID 47012731
1-[(1-phenylpyrazol-4-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 60709700

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-amine?
The IUPAC name of 2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-amine (CID 63998552) is 2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-amine is CC(C)(N)c1cn(Cc2cnn(-c3ccccc3)c2)nn1.
What is the InChIKey of 2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-amine?
The InChIKey is GCHDSDZDLPKNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-15(2,16)14-11-20(19-18-14)9-12-8-17-21(10-12)13-6-4-3-5-7-13/h3-8,10-11H,9,16H2,1-2H3.
What are the key properties of 2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-amine?
2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-amine has a molecular weight of 282.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-phenylpyrazol-4-yl)methyl]triazol-4-yl]propan-2-amine is sourced from PubChem (CID 63998552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).