N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-N-propylpyrazole-3-carboxamide

C21H19FN4O — CID 55651337

IUPACN-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-N-propylpyrazole-3-carboxamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C21H19FN4O/c1-2-12-25(15-17-9-7-16(14-23)8-10-17)21(27)19-11-13-26(24-19)20-6-4-3-5-18(20)22/h3-11,13H,2,12,15H2,1H3
InChIKeySQFVCJDYHPYTEO-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.94
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-N-propylpyrazole-3-carboxamide

N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-N-propylpyrazole-3-carboxamide (PubChem CID 55651337) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-N-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-N-propylpyrazole-3-carboxamide
PubChem CID55651337
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC NameN-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-N-propylpyrazole-3-carboxamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C21H19FN4O/c1-2-12-25(15-17-9-7-16(14-23)8-10-17)21(27)19-11-13-26(24-19)20-6-4-3-5-18(20)22/h3-11,13H,2,12,15H2,1H3
InChIKeySQFVCJDYHPYTEO-UHFFFAOYSA-N
XLogP3.94
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-N-propylpyrazole-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-N-propylpyrazole-3-carboxamide (CID 55651337) is N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-N-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-N-propylpyrazole-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-N-propylpyrazole-3-carboxamide is CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccn(-c2ccccc2F)n1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-N-propylpyrazole-3-carboxamide?
The InChIKey is SQFVCJDYHPYTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-2-12-25(15-17-9-7-16(14-23)8-10-17)21(27)19-11-13-26(24-19)20-6-4-3-5-18(20)22/h3-11,13H,2,12,15H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-N-propylpyrazole-3-carboxamide?
N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-N-propylpyrazole-3-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-N-propylpyrazole-3-carboxamide is sourced from PubChem (CID 55651337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).