N-[4-cyano-1-(4-fluorophenyl)pyrazol-5-yl]cyclohexanecarboxamide

C17H17FN4O — CID 2809595

IUPACN-[4-cyano-1-(4-fluorophenyl)pyrazol-5-yl]cyclohexanecarboxamide
SMILESN#Cc1cnn(-c2ccc(F)cc2)c1NC(=O)C1CCCCC1
InChIInChI=1S/C17H17FN4O/c18-14-6-8-15(9-7-14)22-16(13(10-19)11-20-22)21-17(23)12-4-2-1-3-5-12/h6-9,11-12H,1-5H2,(H,21,23)
InChIKeyANABYZZCBBPAQV-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.40
Rot. Bonds3

About N-[4-cyano-1-(4-fluorophenyl)pyrazol-5-yl]cyclohexanecarboxamide

N-[4-cyano-1-(4-fluorophenyl)pyrazol-5-yl]cyclohexanecarboxamide (PubChem CID 2809595) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[4-cyano-1-(4-fluorophenyl)pyrazol-5-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-cyano-1-(4-fluorophenyl)pyrazol-5-yl]cyclohexanecarboxamide
PubChem CID2809595
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC NameN-[4-cyano-1-(4-fluorophenyl)pyrazol-5-yl]cyclohexanecarboxamide
SMILESN#Cc1cnn(-c2ccc(F)cc2)c1NC(=O)C1CCCCC1
InChIInChI=1S/C17H17FN4O/c18-14-6-8-15(9-7-14)22-16(13(10-19)11-20-22)21-17(23)12-4-2-1-3-5-12/h6-9,11-12H,1-5H2,(H,21,23)
InChIKeyANABYZZCBBPAQV-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-1-(4-fluorophenyl)pyrazol-5-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4-cyano-1-(4-fluorophenyl)pyrazol-5-yl]cyclohexanecarboxamide (CID 2809595) is N-[4-cyano-1-(4-fluorophenyl)pyrazol-5-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-cyano-1-(4-fluorophenyl)pyrazol-5-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-cyano-1-(4-fluorophenyl)pyrazol-5-yl]cyclohexanecarboxamide is N#Cc1cnn(-c2ccc(F)cc2)c1NC(=O)C1CCCCC1.
What is the InChIKey of N-[4-cyano-1-(4-fluorophenyl)pyrazol-5-yl]cyclohexanecarboxamide?
The InChIKey is ANABYZZCBBPAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c18-14-6-8-15(9-7-14)22-16(13(10-19)11-20-22)21-17(23)12-4-2-1-3-5-12/h6-9,11-12H,1-5H2,(H,21,23).
What are the key properties of N-[4-cyano-1-(4-fluorophenyl)pyrazol-5-yl]cyclohexanecarboxamide?
N-[4-cyano-1-(4-fluorophenyl)pyrazol-5-yl]cyclohexanecarboxamide has a molecular weight of 312.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-1-(4-fluorophenyl)pyrazol-5-yl]cyclohexanecarboxamide is sourced from PubChem (CID 2809595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).