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

C16H19N7O — CID 16674639

IUPAC5-propan-2-yl-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCCc2nc(-c3ccncc3)n[nH]2)n[nH]1
InChIInChI=1S/C16H19N7O/c1-10(2)12-9-13(21-20-12)16(24)18-8-5-14-19-15(23-22-14)11-3-6-17-7-4-11/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,18,24)(H,20,21)(H,19,22,23)
InChIKeyQWOPWFLDOOPHGB-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.69
Rot. Bonds6

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

5-propan-2-yl-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 16674639) 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-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID16674639
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name5-propan-2-yl-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCCc2nc(-c3ccncc3)n[nH]2)n[nH]1
InChIInChI=1S/C16H19N7O/c1-10(2)12-9-13(21-20-12)16(24)18-8-5-14-19-15(23-22-14)11-3-6-17-7-4-11/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,18,24)(H,20,21)(H,19,22,23)
InChIKeyQWOPWFLDOOPHGB-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

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[2-(3-pyridin-4-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-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 16674639) is 5-propan-2-yl-N-[2-(3-pyridin-4-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-4-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-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)NCCc2nc(-c3ccncc3)n[nH]2)n[nH]1.
What is the InChIKey of 5-propan-2-yl-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is QWOPWFLDOOPHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-10(2)12-9-13(21-20-12)16(24)18-8-5-14-19-15(23-22-14)11-3-6-17-7-4-11/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,18,24)(H,20,21)(H,19,22,23).
What are the key properties of 5-propan-2-yl-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-propan-2-yl-N-[2-(3-pyridin-4-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-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 16674639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).