3-[3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]propanamide

C13H19F3N4O — CID 99623757

IUPAC3-[3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]propanamide
SMILESNC(=O)CCn1ccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)n1
InChIInChI=1S/C13H19F3N4O/c14-13(15,16)9-2-1-3-10(8-9)18-12-5-7-20(19-12)6-4-11(17)21/h5,7,9-10H,1-4,6,8H2,(H2,17,21)(H,18,19)/t9-,10+/m0/s1
InChIKeyQAPCWBLUMNXEEU-VHSXEESVSA-N
MW304.32 g/mol
LogP2.29
Rot. Bonds5

About 3-[3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]propanamide

3-[3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]propanamide (PubChem CID 99623757) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 3-[3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]propanamide
PubChem CID99623757
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name3-[3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]propanamide
SMILESNC(=O)CCn1ccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)n1
InChIInChI=1S/C13H19F3N4O/c14-13(15,16)9-2-1-3-10(8-9)18-12-5-7-20(19-12)6-4-11(17)21/h5,7,9-10H,1-4,6,8H2,(H2,17,21)(H,18,19)/t9-,10+/m0/s1
InChIKeyQAPCWBLUMNXEEU-VHSXEESVSA-N
XLogP2.29
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide
CID 18152589
3-methyl-N-{1-[1-(3,3,3-trifluoro-1-methylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 45930241
N-(2-bicyclo[2.2.1]heptanyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 75483588
3-[3-[(2,4-Dimethylcyclohexyl)amino]pyrazol-1-yl]propanamide
CID 75521112
1-(2,2-difluoroethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine
CID 97797578
(2S,3R,4S)-3,4-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide
CID 126670601
1-[(1S)-1-cyclopropylethyl]-3-[1-(4,4-difluorocyclohexyl)pyrazol-3-yl]urea
CID 178134827
N-(1-methylpyrazol-3-yl)cyclohexanecarboxamide
CID 16622020
1-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
CID 64755468
1-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
CID 64757389
2-[3-(Trifluoromethyl)cyclohexyl]pyrazol-3-amine
CID 64758208
1-methyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
CID 64758690

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]propanamide?
The IUPAC name of 3-[3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]propanamide (CID 99623757) is 3-[3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]propanamide.
What is the SMILES notation for 3-[3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]propanamide?
The canonical SMILES for 3-[3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]propanamide is NC(=O)CCn1ccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)n1.
What is the InChIKey of 3-[3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]propanamide?
The InChIKey is QAPCWBLUMNXEEU-VHSXEESVSA-N. The full InChI is InChI=1S/C13H19F3N4O/c14-13(15,16)9-2-1-3-10(8-9)18-12-5-7-20(19-12)6-4-11(17)21/h5,7,9-10H,1-4,6,8H2,(H2,17,21)(H,18,19)/t9-,10+/m0/s1.
What are the key properties of 3-[3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]propanamide?
3-[3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]propanamide has a molecular weight of 304.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]propanamide is sourced from PubChem (CID 99623757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).