(5R)-3-[2-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-5-phenylcyclohex-2-en-1-one

C19H18F3N3O — CID 98154793

IUPAC(5R)-3-[2-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-5-phenylcyclohex-2-en-1-one
SMILESCN(NC1=CC(=O)C[C@H](c2ccccc2)C1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H18F3N3O/c1-25(18-8-7-15(12-23-18)19(20,21)22)24-16-9-14(10-17(26)11-16)13-5-3-2-4-6-13/h2-8,11-12,14,24H,9-10H2,1H3/t14-/m1/s1
InChIKeyCPRSANMVLSEPGD-CQSZACIVSA-N
MW361.37 g/mol
LogP4.07
Rot. Bonds4

About (5R)-3-[2-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-5-phenylcyclohex-2-en-1-one

(5R)-3-[2-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-5-phenylcyclohex-2-en-1-one (PubChem CID 98154793) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is (5R)-3-[2-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-5-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-3-[2-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-5-phenylcyclohex-2-en-1-one
PubChem CID98154793
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name(5R)-3-[2-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-5-phenylcyclohex-2-en-1-one
SMILESCN(NC1=CC(=O)C[C@H](c2ccccc2)C1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H18F3N3O/c1-25(18-8-7-15(12-23-18)19(20,21)22)24-16-9-14(10-17(26)11-16)13-5-3-2-4-6-13/h2-8,11-12,14,24H,9-10H2,1H3/t14-/m1/s1
InChIKeyCPRSANMVLSEPGD-CQSZACIVSA-N
XLogP4.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5R)-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-5-phenylcyclohex-2-en-1-one
CID 30775766
3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-5-phenylcyclohex-2-en-1-one
CID 4106322
(5R)-3-[(4-methylpiperazin-4-ium-1-yl)amino]-5-phenylcyclohex-2-en-1-one
CID 7279340
trans-(1R,2S)-2-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropan-1-amine
CID 46868842
(4R)-4-methyl-5-[2-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 31882121
N'-[(5R)-3-oxo-5-phenylcyclohexen-1-yl]benzohydrazide
CID 1274909
(5R)-3-chloro-5-[4-(trifluoromethyl)phenyl]cyclohex-2-en-1-one
CID 6929561
(5S)-3-(2,2-dimethylhydrazinyl)-5-(3-methoxyphenyl)cyclohex-2-en-1-one
CID 718834
3-(2-aminopropylamino)-5-phenylcyclohex-2-en-1-one
CID 23825460
5-phenyl-3-(pyridin-4-ylmethylamino)cyclohex-2-en-1-one
CID 2884499
1,1-dimethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 171822832
amino-[5-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 174570503

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-5-phenylcyclohex-2-en-1-one?
The IUPAC name of (5R)-3-[2-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-5-phenylcyclohex-2-en-1-one (CID 98154793) is (5R)-3-[2-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-5-phenylcyclohex-2-en-1-one.
What is the SMILES notation for (5R)-3-[2-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-5-phenylcyclohex-2-en-1-one?
The canonical SMILES for (5R)-3-[2-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-5-phenylcyclohex-2-en-1-one is CN(NC1=CC(=O)C[C@H](c2ccccc2)C1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of (5R)-3-[2-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-5-phenylcyclohex-2-en-1-one?
The InChIKey is CPRSANMVLSEPGD-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-25(18-8-7-15(12-23-18)19(20,21)22)24-16-9-14(10-17(26)11-16)13-5-3-2-4-6-13/h2-8,11-12,14,24H,9-10H2,1H3/t14-/m1/s1.
What are the key properties of (5R)-3-[2-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-5-phenylcyclohex-2-en-1-one?
(5R)-3-[2-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-5-phenylcyclohex-2-en-1-one has a molecular weight of 361.37 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]-5-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 98154793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).