N-[4-(4-cyanopyrazol-1-yl)phenyl]-4-fluorocyclohexane-1-carboxamide

C17H17FN4O — CID 166284474

IUPACN-[4-(4-cyanopyrazol-1-yl)phenyl]-4-fluorocyclohexane-1-carboxamide
SMILESN#Cc1cnn(-c2ccc(NC(=O)C3CCC(F)CC3)cc2)c1
InChIInChI=1S/C17H17FN4O/c18-14-3-1-13(2-4-14)17(23)21-15-5-7-16(8-6-15)22-11-12(9-19)10-20-22/h5-8,10-11,13-14H,1-4H2,(H,21,23)
InChIKeyFNBDUWMCVQREFN-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.21
Rot. Bonds3

About N-[4-(4-cyanopyrazol-1-yl)phenyl]-4-fluorocyclohexane-1-carboxamide

N-[4-(4-cyanopyrazol-1-yl)phenyl]-4-fluorocyclohexane-1-carboxamide (PubChem CID 166284474) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[4-(4-cyanopyrazol-1-yl)phenyl]-4-fluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyanopyrazol-1-yl)phenyl]-4-fluorocyclohexane-1-carboxamide
PubChem CID166284474
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC NameN-[4-(4-cyanopyrazol-1-yl)phenyl]-4-fluorocyclohexane-1-carboxamide
SMILESN#Cc1cnn(-c2ccc(NC(=O)C3CCC(F)CC3)cc2)c1
InChIInChI=1S/C17H17FN4O/c18-14-3-1-13(2-4-14)17(23)21-15-5-7-16(8-6-15)22-11-12(9-19)10-20-22/h5-8,10-11,13-14H,1-4H2,(H,21,23)
InChIKeyFNBDUWMCVQREFN-UHFFFAOYSA-N
XLogP3.21
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-5-fluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)phenyl]acetamide
CID 155063465
N-[4-(4-cyanopyrazol-1-yl)phenyl]-3-methyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 166364069
N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide
CID 155063425
1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea
CID 47081496
N-(4-cyanophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147578
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
N-(4-cyanophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150120
N-[4-[1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 86970018
N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-2-oxoacetamide
CID 167863317
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
ethyl 4-(4-cyanopyrazol-1-yl)benzoate
CID 174605681
1-N-(4-cyanophenyl)-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150405

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanopyrazol-1-yl)phenyl]-4-fluorocyclohexane-1-carboxamide?
The IUPAC name of N-[4-(4-cyanopyrazol-1-yl)phenyl]-4-fluorocyclohexane-1-carboxamide (CID 166284474) is N-[4-(4-cyanopyrazol-1-yl)phenyl]-4-fluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(4-cyanopyrazol-1-yl)phenyl]-4-fluorocyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(4-cyanopyrazol-1-yl)phenyl]-4-fluorocyclohexane-1-carboxamide is N#Cc1cnn(-c2ccc(NC(=O)C3CCC(F)CC3)cc2)c1.
What is the InChIKey of N-[4-(4-cyanopyrazol-1-yl)phenyl]-4-fluorocyclohexane-1-carboxamide?
The InChIKey is FNBDUWMCVQREFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c18-14-3-1-13(2-4-14)17(23)21-15-5-7-16(8-6-15)22-11-12(9-19)10-20-22/h5-8,10-11,13-14H,1-4H2,(H,21,23).
What are the key properties of N-[4-(4-cyanopyrazol-1-yl)phenyl]-4-fluorocyclohexane-1-carboxamide?
N-[4-(4-cyanopyrazol-1-yl)phenyl]-4-fluorocyclohexane-1-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyanopyrazol-1-yl)phenyl]-4-fluorocyclohexane-1-carboxamide is sourced from PubChem (CID 166284474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).