2-[[(5R)-5-methyl-2-propan-2-ylidenecyclohexyl]amino]-1-(1-methylpyrazol-4-yl)ethanol

C16H27N3O — CID 126822153

IUPAC2-[[(5R)-5-methyl-2-propan-2-ylidenecyclohexyl]amino]-1-(1-methylpyrazol-4-yl)ethanol
SMILESCC(C)=C1CC[C@@H](C)CC1NCC(O)c1cnn(C)c1
InChIInChI=1S/C16H27N3O/c1-11(2)14-6-5-12(3)7-15(14)17-9-16(20)13-8-18-19(4)10-13/h8,10,12,15-17,20H,5-7,9H2,1-4H3/t12-,15?,16?/m1/s1
InChIKeyNQIGMLJVFFLZCX-UWTIGNOOSA-N
MW277.41 g/mol
LogP2.57
Rot. Bonds4

About 2-[[(5R)-5-methyl-2-propan-2-ylidenecyclohexyl]amino]-1-(1-methylpyrazol-4-yl)ethanol

2-[[(5R)-5-methyl-2-propan-2-ylidenecyclohexyl]amino]-1-(1-methylpyrazol-4-yl)ethanol (PubChem CID 126822153) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[[(5R)-5-methyl-2-propan-2-ylidenecyclohexyl]amino]-1-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-[[(5R)-5-methyl-2-propan-2-ylidenecyclohexyl]amino]-1-(1-methylpyrazol-4-yl)ethanol
PubChem CID126822153
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[[(5R)-5-methyl-2-propan-2-ylidenecyclohexyl]amino]-1-(1-methylpyrazol-4-yl)ethanol
SMILESCC(C)=C1CC[C@@H](C)CC1NCC(O)c1cnn(C)c1
InChIInChI=1S/C16H27N3O/c1-11(2)14-6-5-12(3)7-15(14)17-9-16(20)13-8-18-19(4)10-13/h8,10,12,15-17,20H,5-7,9H2,1-4H3/t12-,15?,16?/m1/s1
InChIKeyNQIGMLJVFFLZCX-UWTIGNOOSA-N
XLogP2.57
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[(5R)-5-methyl-2-propan-2-ylidenecyclohexyl]amino]-1-(1-methylpyrazol-4-yl)ethanol with MolForge

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Related Compounds

1-[(2,6-Dimethylcyclohex-2-en-1-yl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 86799427
1-[[2,2,2-Trifluoro-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]ethyl]amino]propan-2-ol
CID 136571882
(1R)-2-(dicyclopentylmethylamino)-1-(1-methylpyrazol-4-yl)ethanol
CID 164637002
(1S)-2-[[(1S,5R)-5-methyl-2-propan-2-ylidenecyclohexyl]amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 129559421
(2S)-2-(1-methylpyrazol-4-yl)-1-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 99627349
(2S)-2-(1-methylpyrazol-4-yl)-1-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 99627351
2-(1-Methylpyrazol-4-yl)-1-[[3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 121515924
(2S)-2-(1-methylpyrazol-4-yl)-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 124874566
(2S)-2-(1-methylpyrazol-4-yl)-1-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 124874571
2-(1,1,1,7,7,7-Hexafluoroheptan-4-ylamino)-1-(1-methylpyrazol-4-yl)ethanol
CID 132318235
(1-Methylpyrazol-4-yl)-pyrrolidin-2-ylmethanol
CID 19971534
(1-Methylpyrazol-4-yl)-piperidin-4-ylmethanol
CID 43146501

Frequently Asked Questions

What is the IUPAC name of 2-[[(5R)-5-methyl-2-propan-2-ylidenecyclohexyl]amino]-1-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-[[(5R)-5-methyl-2-propan-2-ylidenecyclohexyl]amino]-1-(1-methylpyrazol-4-yl)ethanol (CID 126822153) is 2-[[(5R)-5-methyl-2-propan-2-ylidenecyclohexyl]amino]-1-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-[[(5R)-5-methyl-2-propan-2-ylidenecyclohexyl]amino]-1-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-[[(5R)-5-methyl-2-propan-2-ylidenecyclohexyl]amino]-1-(1-methylpyrazol-4-yl)ethanol is CC(C)=C1CC[C@@H](C)CC1NCC(O)c1cnn(C)c1.
What is the InChIKey of 2-[[(5R)-5-methyl-2-propan-2-ylidenecyclohexyl]amino]-1-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is NQIGMLJVFFLZCX-UWTIGNOOSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(2)14-6-5-12(3)7-15(14)17-9-16(20)13-8-18-19(4)10-13/h8,10,12,15-17,20H,5-7,9H2,1-4H3/t12-,15?,16?/m1/s1.
What are the key properties of 2-[[(5R)-5-methyl-2-propan-2-ylidenecyclohexyl]amino]-1-(1-methylpyrazol-4-yl)ethanol?
2-[[(5R)-5-methyl-2-propan-2-ylidenecyclohexyl]amino]-1-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 277.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5R)-5-methyl-2-propan-2-ylidenecyclohexyl]amino]-1-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 126822153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).