2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-phenylethanol

C16H23N3O — CID 2999795

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-phenylethanol
SMILESCc1cc(C)n(CCCNCC(O)c2ccccc2)n1
InChIInChI=1S/C16H23N3O/c1-13-11-14(2)19(18-13)10-6-9-17-12-16(20)15-7-4-3-5-8-15/h3-5,7-8,11,16-17,20H,6,9-10,12H2,1-2H3
InChIKeyRWRSJPKZWHYFKM-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.21
Rot. Bonds7

About 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-phenylethanol

2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-phenylethanol (PubChem CID 2999795) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-phenylethanol
PubChem CID2999795
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-phenylethanol
SMILESCc1cc(C)n(CCCNCC(O)c2ccccc2)n1
InChIInChI=1S/C16H23N3O/c1-13-11-14(2)19(18-13)10-6-9-17-12-16(20)15-7-4-3-5-8-15/h3-5,7-8,11,16-17,20H,6,9-10,12H2,1-2H3
InChIKeyRWRSJPKZWHYFKM-UHFFFAOYSA-N
XLogP2.21
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-(1H-pyrazol-1-yl)ethanol
CID 3245641
1-Benzyloxy-3-(3,5-dimethyl-pyrazol-1-yl)-propan-2-ol
CID 653117
CID 2999794
CID 2999794
1-(2,5-Difluorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanol
CID 56781795
1H-Pyrazole-1-ethanol, 3,5-dimethyl-alpha-phenyl-, 1-acetate
CID 658211
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-(4-methylphenyl)ethan-1-ol
CID 3511640
2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-phenylethanol
CID 2950529
2-[3-(3,5-Dimethylpyrazol-1-yl)azetidin-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 56781756
2-[(5-Chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol;hydrochloride
CID 53538717
Poli 136
CID 211821
{2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}methanol
CID 24229659
(1-Methyl-5-phenyl-1H-pyrazol-3-yl)methanol
CID 14354447

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-phenylethanol?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-phenylethanol (CID 2999795) is 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-phenylethanol.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-phenylethanol?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-phenylethanol is Cc1cc(C)n(CCCNCC(O)c2ccccc2)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-phenylethanol?
The InChIKey is RWRSJPKZWHYFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13-11-14(2)19(18-13)10-6-9-17-12-16(20)15-7-4-3-5-8-15/h3-5,7-8,11,16-17,20H,6,9-10,12H2,1-2H3.
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-phenylethanol?
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-phenylethanol has a molecular weight of 273.38 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-phenylethanol is sourced from PubChem (CID 2999795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).