N-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide

C20H17FN4O — CID 39862153

IUPACN-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccc(C#N)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H17FN4O/c1-14-19(12-23-25(14)18-9-7-17(21)8-10-18)20(26)24(2)13-16-5-3-15(11-22)4-6-16/h3-10,12H,13H2,1-2H3
InChIKeyHULDGWRLXSOCBW-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.46
Rot. Bonds4

About N-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide

N-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide (PubChem CID 39862153) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
PubChem CID39862153
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC NameN-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccc(C#N)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H17FN4O/c1-14-19(12-23-25(14)18-9-7-17(21)8-10-18)20(26)24(2)13-16-5-3-15(11-22)4-6-16/h3-10,12H,13H2,1-2H3
InChIKeyHULDGWRLXSOCBW-UHFFFAOYSA-N
XLogP3.46
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 30766739
1-(4-bromophenyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 32655349
N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119653761
1-(4-fluorophenyl)-N,5-dimethyl-N-[(2-nitrophenyl)methyl]pyrazole-4-carboxamide
CID 46413058
N-(cyanomethyl)-N-cyclopropyl-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 47795680
1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide
CID 142010489
N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 34472485
N-(1-aminopropan-2-yl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119582420
5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 115330494
N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 39858491
1-(4-fluorophenyl)-5-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 55982722
N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 47438698

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide (CID 39862153) is N-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)N(C)Cc2ccc(C#N)cc2)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide?
The InChIKey is HULDGWRLXSOCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-14-19(12-23-25(14)18-9-7-17(21)8-10-18)20(26)24(2)13-16-5-3-15(11-22)4-6-16/h3-10,12H,13H2,1-2H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide?
N-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 3.46, 4 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-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 39862153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).