2-(methylamino)-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol

C17H25N3O — CID 116695367

IUPAC2-(methylamino)-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol
SMILESCNC(CO)(CCn1nc(C)c(C)c1C)c1ccccc1
InChIInChI=1S/C17H25N3O/c1-13-14(2)19-20(15(13)3)11-10-17(12-21,18-4)16-8-6-5-7-9-16/h5-9,18,21H,10-12H2,1-4H3
InChIKeyUBDVCPJKLGNLAW-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.31
Rot. Bonds6

About 2-(methylamino)-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol

2-(methylamino)-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol (PubChem CID 116695367) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(methylamino)-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol
PubChem CID116695367
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(methylamino)-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol
SMILESCNC(CO)(CCn1nc(C)c(C)c1C)c1ccccc1
InChIInChI=1S/C17H25N3O/c1-13-14(2)19-20(15(13)3)11-10-17(12-21,18-4)16-8-6-5-7-9-16/h5-9,18,21H,10-12H2,1-4H3
InChIKeyUBDVCPJKLGNLAW-UHFFFAOYSA-N
XLogP2.31
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

{3-benzyl-1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanol
CID 16188687
2-(5-(3,5-difluorophenyl)-3-(((1S,3R)-3-fluorocyclopentylamino)methyl)-4-methyl-1H-pyrazol-1-yl)ethanol
CID 45270928
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-(4-methylphenyl)ethan-1-ol
CID 3511640
2-[3-(3,5-Dimethyl-1-pyrazolyl)propylamino]-1-phenylethanol;oxalic acid
CID 2999795
1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenylpropan-2-ol
CID 3259972
2-[(5-Chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol
CID 53538718
2-[4-[[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 72022596
1-[(1-Ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 72134670
2-[3,5-dimethyl-4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]pyrazol-1-yl]ethanol
CID 72148614
1-Methyl-3-phenyl-1H-pyrazole-5-methanol
CID 7537632
3-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)morpholine
CID 75451020
2,2-Dimethyl-4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-3-phenylbutan-1-ol
CID 75441610

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol?
The IUPAC name of 2-(methylamino)-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol (CID 116695367) is 2-(methylamino)-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol.
What is the SMILES notation for 2-(methylamino)-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol?
The canonical SMILES for 2-(methylamino)-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol is CNC(CO)(CCn1nc(C)c(C)c1C)c1ccccc1.
What is the InChIKey of 2-(methylamino)-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol?
The InChIKey is UBDVCPJKLGNLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-14(2)19-20(15(13)3)11-10-17(12-21,18-4)16-8-6-5-7-9-16/h5-9,18,21H,10-12H2,1-4H3.
What are the key properties of 2-(methylamino)-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol?
2-(methylamino)-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol has a molecular weight of 287.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol is sourced from PubChem (CID 116695367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).