5-propan-2-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide

C16H19N7O — CID 16668094

IUPAC5-propan-2-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCCc2nc(-c3cccnc3)n[nH]2)n[nH]1
InChIInChI=1S/C16H19N7O/c1-10(2)12-8-13(21-20-12)16(24)18-7-5-14-19-15(23-22-14)11-4-3-6-17-9-11/h3-4,6,8-10H,5,7H2,1-2H3,(H,18,24)(H,20,21)(H,19,22,23)
InChIKeySMFVMIMKARGEPI-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.69
Rot. Bonds6

About 5-propan-2-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide

5-propan-2-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 16668094) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 5-propan-2-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID16668094
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name5-propan-2-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCCc2nc(-c3cccnc3)n[nH]2)n[nH]1
InChIInChI=1S/C16H19N7O/c1-10(2)12-8-13(21-20-12)16(24)18-7-5-14-19-15(23-22-14)11-4-3-6-17-9-11/h3-4,6,8-10H,5,7H2,1-2H3,(H,18,24)(H,20,21)(H,19,22,23)
InChIKeySMFVMIMKARGEPI-UHFFFAOYSA-N
XLogP1.69
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-propan-2-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-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 5-propan-2-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 16668094) is 5-propan-2-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)NCCc2nc(-c3cccnc3)n[nH]2)n[nH]1.
What is the InChIKey of 5-propan-2-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is SMFVMIMKARGEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-10(2)12-8-13(21-20-12)16(24)18-7-5-14-19-15(23-22-14)11-4-3-6-17-9-11/h3-4,6,8-10H,5,7H2,1-2H3,(H,18,24)(H,20,21)(H,19,22,23).
What are the key properties of 5-propan-2-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-propan-2-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 325.38 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 16668094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).