1-methyl-4-[5-methyl-4-(3-pyrrol-1-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine

C14H19N7 — CID 50898218

IUPAC1-methyl-4-[5-methyl-4-(3-pyrrol-1-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine
SMILESCc1nnc(-c2cnn(C)c2N)n1CCCn1cccc1
InChIInChI=1S/C14H19N7/c1-11-17-18-14(12-10-16-19(2)13(12)15)21(11)9-5-8-20-6-3-4-7-20/h3-4,6-7,10H,5,8-9,15H2,1-2H3
InChIKeyJTVJFKSFJIXRKB-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.46
Rot. Bonds5

About 1-methyl-4-[5-methyl-4-(3-pyrrol-1-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine

1-methyl-4-[5-methyl-4-(3-pyrrol-1-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine (PubChem CID 50898218) has the molecular formula C14H19N7 and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-methyl-4-[5-methyl-4-(3-pyrrol-1-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-[5-methyl-4-(3-pyrrol-1-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine
PubChem CID50898218
Molecular FormulaC14H19N7
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name1-methyl-4-[5-methyl-4-(3-pyrrol-1-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine
SMILESCc1nnc(-c2cnn(C)c2N)n1CCCn1cccc1
InChIInChI=1S/C14H19N7/c1-11-17-18-14(12-10-16-19(2)13(12)15)21(11)9-5-8-20-6-3-4-7-20/h3-4,6-7,10H,5,8-9,15H2,1-2H3
InChIKeyJTVJFKSFJIXRKB-UHFFFAOYSA-N
XLogP1.46
TPSA79.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-4-[5-methyl-4-(3-pyrrol-1-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-methyl-4-(3-pyrrol-1-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine?
The IUPAC name of 1-methyl-4-[5-methyl-4-(3-pyrrol-1-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine (CID 50898218) is 1-methyl-4-[5-methyl-4-(3-pyrrol-1-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-[5-methyl-4-(3-pyrrol-1-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-[5-methyl-4-(3-pyrrol-1-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine is Cc1nnc(-c2cnn(C)c2N)n1CCCn1cccc1.
What is the InChIKey of 1-methyl-4-[5-methyl-4-(3-pyrrol-1-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine?
The InChIKey is JTVJFKSFJIXRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7/c1-11-17-18-14(12-10-16-19(2)13(12)15)21(11)9-5-8-20-6-3-4-7-20/h3-4,6-7,10H,5,8-9,15H2,1-2H3.
What are the key properties of 1-methyl-4-[5-methyl-4-(3-pyrrol-1-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine?
1-methyl-4-[5-methyl-4-(3-pyrrol-1-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine has a molecular weight of 285.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-methyl-4-(3-pyrrol-1-ylpropyl)-1,2,4-triazol-3-yl]pyrazol-5-amine is sourced from PubChem (CID 50898218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).