(2R)-2-cyclohexyloxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide

C15H22F3N3O2 — CID 97226410

IUPAC(2R)-2-cyclohexyloxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
SMILESCC[C@@H](OC1CCCCC1)C(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C15H22F3N3O2/c1-2-13(23-12-6-4-3-5-7-12)14(22)20-11-8-19-21(9-11)10-15(16,17)18/h8-9,12-13H,2-7,10H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyPTPSHJHSOHFGPT-CYBMUJFWSA-N
MW333.35 g/mol
LogP3.51
Rot. Bonds6

About (2R)-2-cyclohexyloxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide

(2R)-2-cyclohexyloxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide (PubChem CID 97226410) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is (2R)-2-cyclohexyloxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-cyclohexyloxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
PubChem CID97226410
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC Name(2R)-2-cyclohexyloxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
SMILESCC[C@@H](OC1CCCCC1)C(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C15H22F3N3O2/c1-2-13(23-12-6-4-3-5-7-12)14(22)20-11-8-19-21(9-11)10-15(16,17)18/h8-9,12-13H,2-7,10H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyPTPSHJHSOHFGPT-CYBMUJFWSA-N
XLogP3.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 110278355
2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide
CID 119796075
2-methyl-3-(methylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119796068
1-methylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 110278326
3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 95741403
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide
CID 49054716
2-(2-bromophenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 110278322
2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741358
2-(2-cyclohexyloxybutanoylamino)acetic acid
CID 119350338
3-[[4-(2-cyclopentyloxybutanoylamino)benzoyl]amino]propanoic acid
CID 119222959
2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 119796081
(2S,5R)-5-(aminomethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide
CID 120794258

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyloxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide?
The IUPAC name of (2R)-2-cyclohexyloxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide (CID 97226410) is (2R)-2-cyclohexyloxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide.
What is the SMILES notation for (2R)-2-cyclohexyloxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide?
The canonical SMILES for (2R)-2-cyclohexyloxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide is CC[C@@H](OC1CCCCC1)C(=O)Nc1cnn(CC(F)(F)F)c1.
What is the InChIKey of (2R)-2-cyclohexyloxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide?
The InChIKey is PTPSHJHSOHFGPT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22F3N3O2/c1-2-13(23-12-6-4-3-5-7-12)14(22)20-11-8-19-21(9-11)10-15(16,17)18/h8-9,12-13H,2-7,10H2,1H3,(H,20,22)/t13-/m1/s1.
What are the key properties of (2R)-2-cyclohexyloxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide?
(2R)-2-cyclohexyloxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide has a molecular weight of 333.35 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyloxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide is sourced from PubChem (CID 97226410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).