5-cyclohexyl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-4-carboxamide

C20H23N5O2 — CID 70709269

IUPAC5-cyclohexyl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C20H23N5O2/c1-25(13-17-22-24-19(27-17)15-10-6-3-7-11-15)20(26)16-12-21-23-18(16)14-8-4-2-5-9-14/h3,6-7,10-12,14H,2,4-5,8-9,13H2,1H3,(H,21,23)
InChIKeyVMLZCVGTVJOGIT-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.78
Rot. Bonds5

About 5-cyclohexyl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-4-carboxamide

5-cyclohexyl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 70709269) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-cyclohexyl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclohexyl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID70709269
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name5-cyclohexyl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C20H23N5O2/c1-25(13-17-22-24-19(27-17)15-10-6-3-7-11-15)20(26)16-12-21-23-18(16)14-8-4-2-5-9-14/h3,6-7,10-12,14H,2,4-5,8-9,13H2,1H3,(H,21,23)
InChIKeyVMLZCVGTVJOGIT-UHFFFAOYSA-N
XLogP3.78
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide
CID 70763824
5-cyclohexyl-N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 70760963
N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805298
2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]cyclohexan-1-ol
CID 102636527
5-acetyl-N,2,4-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
CID 77080553
N,3-dimethyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazole-4-carboxamide
CID 156584441
N-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 95805304
N-benzyl-5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 110083044
N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 124998845
N-benzyl-N-methyl-5-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 124965902
6-ethyl-N,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46979234
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide
CID 97454957

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-cyclohexyl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-4-carboxamide (CID 70709269) is 5-cyclohexyl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclohexyl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclohexyl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-4-carboxamide is CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cn[nH]c1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is VMLZCVGTVJOGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-25(13-17-22-24-19(27-17)15-10-6-3-7-11-15)20(26)16-12-21-23-18(16)14-8-4-2-5-9-14/h3,6-7,10-12,14H,2,4-5,8-9,13H2,1H3,(H,21,23).
What are the key properties of 5-cyclohexyl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-4-carboxamide?
5-cyclohexyl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 70709269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).