N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-4-pyrazol-1-ylpyridine-2-carboxamide

C16H15N7O — CID 71853024

IUPACN-(4-cyano-1-propan-2-ylpyrazol-3-yl)-4-pyrazol-1-ylpyridine-2-carboxamide
SMILESCC(C)n1cc(C#N)c(NC(=O)c2cc(-n3cccn3)ccn2)n1
InChIInChI=1S/C16H15N7O/c1-11(2)23-10-12(9-17)15(21-23)20-16(24)14-8-13(4-6-18-14)22-7-3-5-19-22/h3-8,10-11H,1-2H3,(H,20,21,24)
InChIKeyWDKIPEJCLWDTIE-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.17
Rot. Bonds4

About N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-4-pyrazol-1-ylpyridine-2-carboxamide

N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-4-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 71853024) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-4-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-propan-2-ylpyrazol-3-yl)-4-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID71853024
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC NameN-(4-cyano-1-propan-2-ylpyrazol-3-yl)-4-pyrazol-1-ylpyridine-2-carboxamide
SMILESCC(C)n1cc(C#N)c(NC(=O)c2cc(-n3cccn3)ccn2)n1
InChIInChI=1S/C16H15N7O/c1-11(2)23-10-12(9-17)15(21-23)20-16(24)14-8-13(4-6-18-14)22-7-3-5-19-22/h3-8,10-11H,1-2H3,(H,20,21,24)
InChIKeyWDKIPEJCLWDTIE-UHFFFAOYSA-N
XLogP2.17
TPSA101.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-4-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-4-pyrazol-1-ylpyridine-2-carboxamide (CID 71853024) is N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-4-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-4-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-4-pyrazol-1-ylpyridine-2-carboxamide is CC(C)n1cc(C#N)c(NC(=O)c2cc(-n3cccn3)ccn2)n1.
What is the InChIKey of N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-4-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is WDKIPEJCLWDTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c1-11(2)23-10-12(9-17)15(21-23)20-16(24)14-8-13(4-6-18-14)22-7-3-5-19-22/h3-8,10-11H,1-2H3,(H,20,21,24).
What are the key properties of N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-4-pyrazol-1-ylpyridine-2-carboxamide?
N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-4-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-4-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 71853024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).