3-cyano-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide

C18H13FN4O — CID 19411687

IUPAC3-cyano-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1
InChIInChI=1S/C18H13FN4O/c19-16-6-4-13(5-7-16)11-23-12-17(10-21-23)22-18(24)15-3-1-2-14(8-15)9-20/h1-8,10,12H,11H2,(H,22,24)
InChIKeySFNSQRWKLXTPTB-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.19
Rot. Bonds4

About 3-cyano-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide

3-cyano-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19411687) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 3-cyano-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID19411687
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name3-cyano-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1
InChIInChI=1S/C18H13FN4O/c19-16-6-4-13(5-7-16)11-23-12-17(10-21-23)22-18(24)15-3-1-2-14(8-15)9-20/h1-8,10,12H,11H2,(H,22,24)
InChIKeySFNSQRWKLXTPTB-UHFFFAOYSA-N
XLogP3.19
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-cyanobenzamide
CID 19404043
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide
CID 71259814
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140
1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide
CID 26245593
2,6-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 1225286
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-cyanobenzamide
CID 35277892
4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 39853571
3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336537
2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 17088846
[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid
CID 69075469
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide
CID 19407715
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19336525

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 3-cyano-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide (CID 19411687) is 3-cyano-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 3-cyano-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide is N#Cc1cccc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1.
What is the InChIKey of 3-cyano-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is SFNSQRWKLXTPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c19-16-6-4-13(5-7-16)11-23-12-17(10-21-23)22-18(24)15-3-1-2-14(8-15)9-20/h1-8,10,12H,11H2,(H,22,24).
What are the key properties of 3-cyano-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
3-cyano-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 320.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19411687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).