3-[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]-1-phenylpropan-1-ol

C16H23N3O — CID 45250350

IUPAC3-[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]-1-phenylpropan-1-ol
SMILESCc1cc(CN(C)CCC(O)c2ccccc2)nn1C
InChIInChI=1S/C16H23N3O/c1-13-11-15(17-19(13)3)12-18(2)10-9-16(20)14-7-5-4-6-8-14/h4-8,11,16,20H,9-10,12H2,1-3H3
InChIKeyYUGGMKWFUUDHCZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.28
Rot. Bonds6

About 3-[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]-1-phenylpropan-1-ol

3-[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]-1-phenylpropan-1-ol (PubChem CID 45250350) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]-1-phenylpropan-1-ol
PubChem CID45250350
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]-1-phenylpropan-1-ol
SMILESCc1cc(CN(C)CCC(O)c2ccccc2)nn1C
InChIInChI=1S/C16H23N3O/c1-13-11-15(17-19(13)3)12-18(2)10-9-16(20)14-7-5-4-6-8-14/h4-8,11,16,20H,9-10,12H2,1-3H3
InChIKeyYUGGMKWFUUDHCZ-UHFFFAOYSA-N
XLogP2.28
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol
CID 2795476
1-Benzyloxy-3-(3,5-dimethyl-pyrazol-1-yl)-propan-2-ol
CID 653117
CID 2999794
CID 2999794
1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-1-propanol
CID 3756816
1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-1-ethanol
CID 3838438
{3-benzyl-1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanol
CID 16188687
1-(2,5-Difluorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanol
CID 56781795
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-Dimethyl-1-pyrazolyl)propylamino]-1-phenylethanol;oxalic acid
CID 2999795
1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-3-buten-1-ol
CID 3560876
2-[3-(3,5-Dimethylpyrazol-1-yl)azetidin-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 56781756

Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]-1-phenylpropan-1-ol?
The IUPAC name of 3-[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]-1-phenylpropan-1-ol (CID 45250350) is 3-[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]-1-phenylpropan-1-ol is Cc1cc(CN(C)CCC(O)c2ccccc2)nn1C.
What is the InChIKey of 3-[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]-1-phenylpropan-1-ol?
The InChIKey is YUGGMKWFUUDHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13-11-15(17-19(13)3)12-18(2)10-9-16(20)14-7-5-4-6-8-14/h4-8,11,16,20H,9-10,12H2,1-3H3.
What are the key properties of 3-[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]-1-phenylpropan-1-ol?
3-[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]-1-phenylpropan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 45250350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).