N-(4,4-difluorocyclohexyl)-2-(3,4-dimethylpyrazol-1-yl)acetamide

C13H19F2N3O — CID 166473915

IUPACN-(4,4-difluorocyclohexyl)-2-(3,4-dimethylpyrazol-1-yl)acetamide
SMILESCc1cn(CC(=O)NC2CCC(F)(F)CC2)nc1C
InChIInChI=1S/C13H19F2N3O/c1-9-7-18(17-10(9)2)8-12(19)16-11-3-5-13(14,15)6-4-11/h7,11H,3-6,8H2,1-2H3,(H,16,19)
InChIKeyYYEOYAYGTWLZQY-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.19
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)-2-(3,4-dimethylpyrazol-1-yl)acetamide

N-(4,4-difluorocyclohexyl)-2-(3,4-dimethylpyrazol-1-yl)acetamide (PubChem CID 166473915) has the molecular formula C13H19F2N3O and a molecular weight of 271.31 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-2-(3,4-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-2-(3,4-dimethylpyrazol-1-yl)acetamide
PubChem CID166473915
Molecular FormulaC13H19F2N3O
Molecular Weight271.31 g/mol
Exact Mass271.15
IUPAC NameN-(4,4-difluorocyclohexyl)-2-(3,4-dimethylpyrazol-1-yl)acetamide
SMILESCc1cn(CC(=O)NC2CCC(F)(F)CC2)nc1C
InChIInChI=1S/C13H19F2N3O/c1-9-7-18(17-10(9)2)8-12(19)16-11-3-5-13(14,15)6-4-11/h7,11H,3-6,8H2,1-2H3,(H,16,19)
InChIKeyYYEOYAYGTWLZQY-UHFFFAOYSA-N
XLogP2.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexyl-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea
CID 831712
N-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 47005565
N-cyclohexyl-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 841979
N-propan-2-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 6623643
n-(Tert-pentyl)-2-(3-(trifluoromethyl)-1h-pyrazol-1-yl)acetamide
CID 45794451
(2S)-2-{[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]amino}-3-methylbutanamide
CID 46992505
1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 71855102
N~2~-[(dimethylamino)carbonyl]-N~1~-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]glycinamide
CID 86285523
2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-N,N-bis(prop-2-enyl)acetamide
CID 97258467
(2S)-N-cyclohexyl-2-[(1,3-dimethylpyrazol-4-yl)amino]-N-ethylpropanamide
CID 99836569
N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-(2-oxopiperazin-1-yl)acetamide
CID 138001505
(3S)-3-methyl-4-[2-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]-1,4-diazepan-2-one
CID 164630035

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-2-(3,4-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-2-(3,4-dimethylpyrazol-1-yl)acetamide (CID 166473915) is N-(4,4-difluorocyclohexyl)-2-(3,4-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-2-(3,4-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-2-(3,4-dimethylpyrazol-1-yl)acetamide is Cc1cn(CC(=O)NC2CCC(F)(F)CC2)nc1C.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-2-(3,4-dimethylpyrazol-1-yl)acetamide?
The InChIKey is YYEOYAYGTWLZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O/c1-9-7-18(17-10(9)2)8-12(19)16-11-3-5-13(14,15)6-4-11/h7,11H,3-6,8H2,1-2H3,(H,16,19).
What are the key properties of N-(4,4-difluorocyclohexyl)-2-(3,4-dimethylpyrazol-1-yl)acetamide?
N-(4,4-difluorocyclohexyl)-2-(3,4-dimethylpyrazol-1-yl)acetamide has a molecular weight of 271.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-2-(3,4-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 166473915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).