2-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol

C13H15ClN2O — CID 79438146

IUPAC2-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCn1cc(CC(CO)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H15ClN2O/c1-16-8-10(7-15-16)6-12(9-17)11-2-4-13(14)5-3-11/h2-5,7-8,12,17H,6,9H2,1H3
InChIKeyGYOWXOVPZVGWNO-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.39
Rot. Bonds4

About 2-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol

2-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol (PubChem CID 79438146) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
PubChem CID79438146
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCn1cc(CC(CO)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H15ClN2O/c1-16-8-10(7-15-16)6-12(9-17)11-2-4-13(14)5-3-11/h2-5,7-8,12,17H,6,9H2,1H3
InChIKeyGYOWXOVPZVGWNO-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 79436107
3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol
CID 66057746
2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 79437814
2-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diol
CID 79450253
(4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088026
N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87026855
2-(4-chlorophenyl)-3-(3,5-difluorophenyl)propan-1-ol
CID 105410822
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 110903365
2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine
CID 79430703
1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 79003234
1-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 62126805
1-(4-chloro-2,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780481

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 2-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol (CID 79438146) is 2-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 2-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol is Cn1cc(CC(CO)c2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The InChIKey is GYOWXOVPZVGWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-16-8-10(7-15-16)6-12(9-17)11-2-4-13(14)5-3-11/h2-5,7-8,12,17H,6,9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
2-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol has a molecular weight of 250.73 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 79438146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).