N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide

C17H19N7O — CID 46993374

IUPACN-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
SMILESCc1cnn(C(C)C2CC2)c1NC(=O)c1ccnc(-n2cnnc2)c1
InChIInChI=1S/C17H19N7O/c1-11-8-21-24(12(2)13-3-4-13)16(11)22-17(25)14-5-6-18-15(7-14)23-9-19-20-10-23/h5-10,12-13H,3-4H2,1-2H3,(H,22,25)
InChIKeyHZBWOECHXKJCEE-UHFFFAOYSA-N
MW337.39 g/mol
LogP2.39
Rot. Bonds5

About N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide

N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide (PubChem CID 46993374) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
PubChem CID46993374
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC NameN-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
SMILESCc1cnn(C(C)C2CC2)c1NC(=O)c1ccnc(-n2cnnc2)c1
InChIInChI=1S/C17H19N7O/c1-11-8-21-24(12(2)13-3-4-13)16(11)22-17(25)14-5-6-18-15(7-14)23-9-19-20-10-23/h5-10,12-13H,3-4H2,1-2H3,(H,22,25)
InChIKeyHZBWOECHXKJCEE-UHFFFAOYSA-N
XLogP2.39
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide 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 N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide (CID 46993374) is N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide is Cc1cnn(C(C)C2CC2)c1NC(=O)c1ccnc(-n2cnnc2)c1.
What is the InChIKey of N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
The InChIKey is HZBWOECHXKJCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-11-8-21-24(12(2)13-3-4-13)16(11)22-17(25)14-5-6-18-15(7-14)23-9-19-20-10-23/h5-10,12-13H,3-4H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 46993374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).