1-(2-cyanoethyl)-3-phenyl-N-pyridin-2-ylpyrazole-4-carboxamide

C18H15N5O — CID 6483931

IUPAC1-(2-cyanoethyl)-3-phenyl-N-pyridin-2-ylpyrazole-4-carboxamide
SMILESN#CCCn1cc(C(=O)Nc2ccccn2)c(-c2ccccc2)n1
InChIInChI=1S/C18H15N5O/c19-10-6-12-23-13-15(17(22-23)14-7-2-1-3-8-14)18(24)21-16-9-4-5-11-20-16/h1-5,7-9,11,13H,6,12H2,(H,20,21,24)
InChIKeyZAYQIJNNVMZQCN-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.11
Rot. Bonds5

About 1-(2-cyanoethyl)-3-phenyl-N-pyridin-2-ylpyrazole-4-carboxamide

1-(2-cyanoethyl)-3-phenyl-N-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 6483931) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-3-phenyl-N-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanoethyl)-3-phenyl-N-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID6483931
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name1-(2-cyanoethyl)-3-phenyl-N-pyridin-2-ylpyrazole-4-carboxamide
SMILESN#CCCn1cc(C(=O)Nc2ccccn2)c(-c2ccccc2)n1
InChIInChI=1S/C18H15N5O/c19-10-6-12-23-13-15(17(22-23)14-7-2-1-3-8-14)18(24)21-16-9-4-5-11-20-16/h1-5,7-9,11,13H,6,12H2,(H,20,21,24)
InChIKeyZAYQIJNNVMZQCN-UHFFFAOYSA-N
XLogP3.11
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-3-phenyl-N-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-cyanoethyl)-3-phenyl-N-pyridin-2-ylpyrazole-4-carboxamide (CID 6483931) is 1-(2-cyanoethyl)-3-phenyl-N-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-cyanoethyl)-3-phenyl-N-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-cyanoethyl)-3-phenyl-N-pyridin-2-ylpyrazole-4-carboxamide is N#CCCn1cc(C(=O)Nc2ccccn2)c(-c2ccccc2)n1.
What is the InChIKey of 1-(2-cyanoethyl)-3-phenyl-N-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is ZAYQIJNNVMZQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c19-10-6-12-23-13-15(17(22-23)14-7-2-1-3-8-14)18(24)21-16-9-4-5-11-20-16/h1-5,7-9,11,13H,6,12H2,(H,20,21,24).
What are the key properties of 1-(2-cyanoethyl)-3-phenyl-N-pyridin-2-ylpyrazole-4-carboxamide?
1-(2-cyanoethyl)-3-phenyl-N-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-3-phenyl-N-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 6483931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).