4-cyano-3-(4-cyanophenyl)-N-ethyl-1-propan-2-ylpyrazole-5-carboxamide

C17H17N5O — CID 45111454

IUPAC4-cyano-3-(4-cyanophenyl)-N-ethyl-1-propan-2-ylpyrazole-5-carboxamide
SMILESCCNC(=O)c1c(C#N)c(-c2ccc(C#N)cc2)nn1C(C)C
InChIInChI=1S/C17H17N5O/c1-4-20-17(23)16-14(10-19)15(21-22(16)11(2)3)13-7-5-12(9-18)6-8-13/h5-8,11H,4H2,1-3H3,(H,20,23)
InChIKeyVDSNWLNCUOGZBC-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.62
Rot. Bonds4

About 4-cyano-3-(4-cyanophenyl)-N-ethyl-1-propan-2-ylpyrazole-5-carboxamide

4-cyano-3-(4-cyanophenyl)-N-ethyl-1-propan-2-ylpyrazole-5-carboxamide (PubChem CID 45111454) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-cyano-3-(4-cyanophenyl)-N-ethyl-1-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-cyano-3-(4-cyanophenyl)-N-ethyl-1-propan-2-ylpyrazole-5-carboxamide
PubChem CID45111454
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name4-cyano-3-(4-cyanophenyl)-N-ethyl-1-propan-2-ylpyrazole-5-carboxamide
SMILESCCNC(=O)c1c(C#N)c(-c2ccc(C#N)cc2)nn1C(C)C
InChIInChI=1S/C17H17N5O/c1-4-20-17(23)16-14(10-19)15(21-22(16)11(2)3)13-7-5-12(9-18)6-8-13/h5-8,11H,4H2,1-3H3,(H,20,23)
InChIKeyVDSNWLNCUOGZBC-UHFFFAOYSA-N
XLogP2.62
TPSA94.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-(4-cyanophenyl)-N-ethyl-1-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 4-cyano-3-(4-cyanophenyl)-N-ethyl-1-propan-2-ylpyrazole-5-carboxamide (CID 45111454) is 4-cyano-3-(4-cyanophenyl)-N-ethyl-1-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 4-cyano-3-(4-cyanophenyl)-N-ethyl-1-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 4-cyano-3-(4-cyanophenyl)-N-ethyl-1-propan-2-ylpyrazole-5-carboxamide is CCNC(=O)c1c(C#N)c(-c2ccc(C#N)cc2)nn1C(C)C.
What is the InChIKey of 4-cyano-3-(4-cyanophenyl)-N-ethyl-1-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is VDSNWLNCUOGZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-4-20-17(23)16-14(10-19)15(21-22(16)11(2)3)13-7-5-12(9-18)6-8-13/h5-8,11H,4H2,1-3H3,(H,20,23).
What are the key properties of 4-cyano-3-(4-cyanophenyl)-N-ethyl-1-propan-2-ylpyrazole-5-carboxamide?
4-cyano-3-(4-cyanophenyl)-N-ethyl-1-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-(4-cyanophenyl)-N-ethyl-1-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 45111454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).