N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide

C17H21N3O — CID 110336117

IUPACN-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCCC2)cc1-c1ccccc1
InChIInChI=1S/C17H21N3O/c1-20-16(13-8-4-2-5-9-13)12-15(19-20)17(21)18-14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H,18,21)
InChIKeyDZKIXZLOADOUPY-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.15
Rot. Bonds3

About N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide

N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide (PubChem CID 110336117) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide
PubChem CID110336117
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCCC2)cc1-c1ccccc1
InChIInChI=1S/C17H21N3O/c1-20-16(13-8-4-2-5-9-13)12-15(19-20)17(21)18-14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H,18,21)
InChIKeyDZKIXZLOADOUPY-UHFFFAOYSA-N
XLogP3.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzothiazol-2-yl)-N-cyclohexyl-5-phenylpyrazole-3-carboxamide
CID 17039148
N-cyclohexyl-5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 46171275
N-cyclopropyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 110335992
N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336197
N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336121
N-cyclohexyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862165
N-cyclohexyl-1-ethyl-5-(3-methoxyphenyl)pyrazole-3-carboxamide
CID 46171136
ethyl 5-[4-(cyclohexylcarbamoyloxy)phenyl]-1-methylpyrazole-3-carboxylate
CID 118736176
N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790626
N-cyclohexyl-6-phenylpyridazine-3-carboxamide
CID 113200519
N-cyclohexyl-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 46104689
N-cyclohexyl-5,6-diphenylpyrazine-2-carboxamide
CID 10150172

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide (CID 110336117) is N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide is Cn1nc(C(=O)NC2CCCCC2)cc1-c1ccccc1.
What is the InChIKey of N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide?
The InChIKey is DZKIXZLOADOUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20-16(13-8-4-2-5-9-13)12-15(19-20)17(21)18-14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H,18,21).
What are the key properties of N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide?
N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 110336117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).