1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)propan-1-ol

C13H15ClN2O — CID 3756816

IUPAC1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)propan-1-ol
SMILESCCC(O)c1c(-c2ccccc2)nn(C)c1Cl
InChIInChI=1S/C13H15ClN2O/c1-3-10(17)11-12(15-16(2)13(11)14)9-7-5-4-6-8-9/h4-8,10,17H,3H2,1-2H3
InChIKeyURMFEDCVPQQNFI-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.18
Rot. Bonds3

About 1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)propan-1-ol

1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)propan-1-ol (PubChem CID 3756816) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)propan-1-ol
PubChem CID3756816
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)propan-1-ol
SMILESCCC(O)c1c(-c2ccccc2)nn(C)c1Cl
InChIInChI=1S/C13H15ClN2O/c1-3-10(17)11-12(15-16(2)13(11)14)9-7-5-4-6-8-9/h4-8,10,17H,3H2,1-2H3
InChIKeyURMFEDCVPQQNFI-UHFFFAOYSA-N
XLogP3.18
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol
CID 2795476
5-Chloro-4-[methoxy(phenyl)methyl]-1-methyl-3-phenylpyrazole
CID 3734300
(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)[2-(trifluoromethyl)phenyl]methanol
CID 3740021
1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-1-ethanol
CID 3838438
1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-3-buten-1-ol
CID 3560876
(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)(4-chlorophenyl)methanol
CID 5180935
{3-benzyl-1-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanol
CID 16191666
1-(4-Chlorophenyl)-2-[5-(hydroxymethyl)-3-phenylpyrazol-1-yl]ethanol
CID 50908375
2-[(5-Chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol;hydrochloride
CID 53538717
(1-Methyl-5-phenyl-1H-pyrazol-3-yl)methanol
CID 14354447
3-[[(1,5-dimethyl-1H-pyrazol-3-yl)methyl](methyl)amino]-1-phenyl-1-propanol
CID 45250350
2-[4-[(3,5-Dichlorophenyl)-hydroxy-methyl]-3,5-diethyl-pyrazol-1-yl]ethanol
CID 45486836

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)propan-1-ol (CID 3756816) is 1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)propan-1-ol is CCC(O)c1c(-c2ccccc2)nn(C)c1Cl.
What is the InChIKey of 1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)propan-1-ol?
The InChIKey is URMFEDCVPQQNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-3-10(17)11-12(15-16(2)13(11)14)9-7-5-4-6-8-9/h4-8,10,17H,3H2,1-2H3.
What are the key properties of 1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)propan-1-ol?
1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)propan-1-ol has a molecular weight of 250.73 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 3756816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).