N-(4-phenylcyclohexyl)-4-(pyrazol-1-ylmethyl)benzamide

C23H25N3O — CID 55594865

IUPACN-(4-phenylcyclohexyl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NC1CCC(c2ccccc2)CC1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C23H25N3O/c27-23(21-9-7-18(8-10-21)17-26-16-4-15-24-26)25-22-13-11-20(12-14-22)19-5-2-1-3-6-19/h1-10,15-16,20,22H,11-14,17H2,(H,25,27)
InChIKeyMTQCFWNRPJPXQX-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.39
Rot. Bonds5

About N-(4-phenylcyclohexyl)-4-(pyrazol-1-ylmethyl)benzamide

N-(4-phenylcyclohexyl)-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 55594865) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(4-phenylcyclohexyl)-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-phenylcyclohexyl)-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID55594865
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-(4-phenylcyclohexyl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NC1CCC(c2ccccc2)CC1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C23H25N3O/c27-23(21-9-7-18(8-10-21)17-26-16-4-15-24-26)25-22-13-11-20(12-14-22)19-5-2-1-3-6-19/h1-10,15-16,20,22H,11-14,17H2,(H,25,27)
InChIKeyMTQCFWNRPJPXQX-UHFFFAOYSA-N
XLogP4.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-(pyrazol-1-ylmethyl)benzamide
CID 18136591
4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide
CID 68738531
N-(1,1-dioxothiolan-3-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18137645
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 34186155
N-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 92608066
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 134037527
2-[3,5-diethyl-1-[[4-[(4-phenylcyclohexyl)carbamoyl]phenyl]methyl]pyrazol-4-yl]acetic acid
CID 58071764
N-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836552
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 111661620
3-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 86871510
N-cyclopentyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoylamino]benzamide
CID 55836456
4-benzyl-N-cyclopropylbenzamide
CID 45086871

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylcyclohexyl)-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-(4-phenylcyclohexyl)-4-(pyrazol-1-ylmethyl)benzamide (CID 55594865) is N-(4-phenylcyclohexyl)-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(4-phenylcyclohexyl)-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(4-phenylcyclohexyl)-4-(pyrazol-1-ylmethyl)benzamide is O=C(NC1CCC(c2ccccc2)CC1)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-(4-phenylcyclohexyl)-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is MTQCFWNRPJPXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c27-23(21-9-7-18(8-10-21)17-26-16-4-15-24-26)25-22-13-11-20(12-14-22)19-5-2-1-3-6-19/h1-10,15-16,20,22H,11-14,17H2,(H,25,27).
What are the key properties of N-(4-phenylcyclohexyl)-4-(pyrazol-1-ylmethyl)benzamide?
N-(4-phenylcyclohexyl)-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 359.47 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylcyclohexyl)-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 55594865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).