N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C17H20FN3O — CID 19514437

IUPACN-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C17H20FN3O/c18-13-9-7-12(8-10-13)15-11-16(21-20-15)17(22)19-14-5-3-1-2-4-6-14/h7-11,14H,1-6H2,(H,19,22)(H,20,21)
InChIKeyWHZJROLZFPJIMX-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.67
Rot. Bonds3

About N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19514437) has the molecular formula C17H20FN3O and a molecular weight of 301.36 g/mol. Its IUPAC name is N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID19514437
Molecular FormulaC17H20FN3O
Molecular Weight301.36 g/mol
Exact Mass301.16
IUPAC NameN-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C17H20FN3O/c18-13-9-7-12(8-10-13)15-11-16(21-20-15)17(22)19-14-5-3-1-2-4-6-14/h7-11,14H,1-6H2,(H,19,22)(H,20,21)
InChIKeyWHZJROLZFPJIMX-UHFFFAOYSA-N
XLogP3.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-3-(1H-pyrrol-3-yl)-1H-pyrazole-5-carboxamide
CID 136655088
3-(4-bromophenyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide
CID 9247830
N-[2-(aminomethyl)cyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 119609271
N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide
CID 53111052
N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509722
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 51948560
3-(4-fluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 91631956
3-(4-chlorophenyl)-N-piperidin-3-yl-1H-pyrazole-5-carboxamide
CID 119424765
N-[2-(aminomethyl)cyclopentyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119600626
3-(4-chlorophenyl)-N-(1,1-dioxothian-3-yl)-1H-pyrazole-5-carboxamide
CID 127319581
cis-(1R,3S)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678002
3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 90633193

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 19514437) is N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is O=C(NC1CCCCCC1)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WHZJROLZFPJIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c18-13-9-7-12(8-10-13)15-11-16(21-20-15)17(22)19-14-5-3-1-2-4-6-14/h7-11,14H,1-6H2,(H,19,22)(H,20,21).
What are the key properties of N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 301.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19514437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).