N,N-dicyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide

C19H31N3O — CID 649138

IUPACN,N-dicyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)N(C2CCCCC2)C2CCCCC2)n1
InChIInChI=1S/C19H31N3O/c1-15-13-16(2)21(20-15)14-19(23)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h13,17-18H,3-12,14H2,1-2H3
InChIKeyOKHBMUFRSRTBBW-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.99
Rot. Bonds4

About N,N-dicyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide

N,N-dicyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 649138) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID649138
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN,N-dicyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)N(C2CCCCC2)C2CCCCC2)n1
InChIInChI=1S/C19H31N3O/c1-15-13-16(2)21(20-15)14-19(23)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h13,17-18H,3-12,14H2,1-2H3
InChIKeyOKHBMUFRSRTBBW-UHFFFAOYSA-N
XLogP3.99
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Cyclohex-1-enyl-ethyl)-2-(3,5-dimethyl-pyrazol-1-yl)-acetamide
CID 3153925
N-cyclopentyl-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 841522
1,2-Bis(3,5-dimethylpyrazol-1-yl)ethanone
CID 658280
N-cycloheptyl-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 1224578
5-methyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-(trifluoromethyl)-1H-pyrazole
CID 813457
5-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1,5-diazacycloundecan-2-one
CID 110201380
1-(2-Methylpiperidyl)-2-[5-methyl-3-(trifluoromethyl)pyrazolyl]ethan-1-one
CID 649724
N-cyclohexyl-N-methyl-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 749632
N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 856392
2-[5-Methyl-3-(trifluoromethyl)pyrazolyl]-1-piperidylethan-1-one
CID 2256952
1-Cyclohexyl-4-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]piperazin-2-one
CID 25914578
1-Cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one
CID 46963063

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N,N-dicyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 649138) is N,N-dicyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)N(C2CCCCC2)C2CCCCC2)n1.
What is the InChIKey of N,N-dicyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is OKHBMUFRSRTBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-15-13-16(2)21(20-15)14-19(23)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h13,17-18H,3-12,14H2,1-2H3.
What are the key properties of N,N-dicyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N,N-dicyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 317.48 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 649138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).