2-(methylamino)-4-(5-methylpyrazol-1-yl)-2-phenylbutan-1-ol

C15H21N3O — CID 116695380

IUPAC2-(methylamino)-4-(5-methylpyrazol-1-yl)-2-phenylbutan-1-ol
SMILESCNC(CO)(CCn1nccc1C)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-13-8-10-17-18(13)11-9-15(12-19,16-2)14-6-4-3-5-7-14/h3-8,10,16,19H,9,11-12H2,1-2H3
InChIKeyHOVQQSLEFJCGHT-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.69
Rot. Bonds6

About 2-(methylamino)-4-(5-methylpyrazol-1-yl)-2-phenylbutan-1-ol

2-(methylamino)-4-(5-methylpyrazol-1-yl)-2-phenylbutan-1-ol (PubChem CID 116695380) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(methylamino)-4-(5-methylpyrazol-1-yl)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-4-(5-methylpyrazol-1-yl)-2-phenylbutan-1-ol
PubChem CID116695380
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(methylamino)-4-(5-methylpyrazol-1-yl)-2-phenylbutan-1-ol
SMILESCNC(CO)(CCn1nccc1C)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-13-8-10-17-18(13)11-9-15(12-19,16-2)14-6-4-3-5-7-14/h3-8,10,16,19H,9,11-12H2,1-2H3
InChIKeyHOVQQSLEFJCGHT-UHFFFAOYSA-N
XLogP1.69
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(Hydroxymethyl)-1-methylpyrazol-4-yl]benzonitrile
CID 145962664
2-[3-(3,5-Dimethyl-1-pyrazolyl)propylamino]-1-phenylethanol;oxalic acid
CID 2999795
2-[5-Methyl-4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol
CID 135372596
2-[4-[(1-Methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]ethanol
CID 71922317
4-[[1-(2,4-Difluorophenyl)-3-(o-tolyl)pyrazol-4-yl]methylamino]butan-1-ol
CID 72546052
2-[[3-(3-Methylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol
CID 16364972
3-(4-Fluorophenyl)-2-(3-pyrazol-1-ylpropylamino)propan-1-ol
CID 155119483
(1-Methyl-1H-pyrazol-5-yl)(phenyl)methanol
CID 10943232
(3S*,4S*)-1-[(1-ethyl-1H-pyrazol-3-yl)methyl]-4-(4-fluorophenyl)piperidin-3-ol
CID 50957973
(2S)-2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-phenylethanol
CID 75428123
2,2-Dimethyl-4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-3-phenylbutan-1-ol
CID 75441610
[(1R,4S)-4-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]cyclopent-2-en-1-yl]methanol
CID 86787511

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-(5-methylpyrazol-1-yl)-2-phenylbutan-1-ol?
The IUPAC name of 2-(methylamino)-4-(5-methylpyrazol-1-yl)-2-phenylbutan-1-ol (CID 116695380) is 2-(methylamino)-4-(5-methylpyrazol-1-yl)-2-phenylbutan-1-ol.
What is the SMILES notation for 2-(methylamino)-4-(5-methylpyrazol-1-yl)-2-phenylbutan-1-ol?
The canonical SMILES for 2-(methylamino)-4-(5-methylpyrazol-1-yl)-2-phenylbutan-1-ol is CNC(CO)(CCn1nccc1C)c1ccccc1.
What is the InChIKey of 2-(methylamino)-4-(5-methylpyrazol-1-yl)-2-phenylbutan-1-ol?
The InChIKey is HOVQQSLEFJCGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-13-8-10-17-18(13)11-9-15(12-19,16-2)14-6-4-3-5-7-14/h3-8,10,16,19H,9,11-12H2,1-2H3.
What are the key properties of 2-(methylamino)-4-(5-methylpyrazol-1-yl)-2-phenylbutan-1-ol?
2-(methylamino)-4-(5-methylpyrazol-1-yl)-2-phenylbutan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(5-methylpyrazol-1-yl)-2-phenylbutan-1-ol is sourced from PubChem (CID 116695380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).