(4-chloro-1-methylpyrazol-5-yl)-[4-(2-methylpropyl)phenyl]methanol

C15H19ClN2O — CID 114637035

IUPAC(4-chloro-1-methylpyrazol-5-yl)-[4-(2-methylpropyl)phenyl]methanol
SMILESCC(C)Cc1ccc(C(O)c2c(Cl)cnn2C)cc1
InChIInChI=1S/C15H19ClN2O/c1-10(2)8-11-4-6-12(7-5-11)15(19)14-13(16)9-17-18(14)3/h4-7,9-10,15,19H,8H2,1-3H3
InChIKeyIWUVOMHQKRJUAZ-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.35
Rot. Bonds4

About (4-chloro-1-methylpyrazol-5-yl)-[4-(2-methylpropyl)phenyl]methanol

(4-chloro-1-methylpyrazol-5-yl)-[4-(2-methylpropyl)phenyl]methanol (PubChem CID 114637035) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-[4-(2-methylpropyl)phenyl]methanol.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-[4-(2-methylpropyl)phenyl]methanol
PubChem CID114637035
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-[4-(2-methylpropyl)phenyl]methanol
SMILESCC(C)Cc1ccc(C(O)c2c(Cl)cnn2C)cc1
InChIInChI=1S/C15H19ClN2O/c1-10(2)8-11-4-6-12(7-5-11)15(19)14-13(16)9-17-18(14)3/h4-7,9-10,15,19H,8H2,1-3H3
InChIKeyIWUVOMHQKRJUAZ-UHFFFAOYSA-N
XLogP3.35
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol
CID 114643322
(4-butoxyphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 105129781
(3,4-dichlorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 63428546
(4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trimethoxyphenyl)methanol
CID 114634559
(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 114634286
(4-chloro-1-methylpyrazol-5-yl)-(6-methoxynaphthalen-2-yl)methanol
CID 114634999
(2-chlorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 63428149
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(methoxymethyl)phenyl]methanol
CID 114636385
(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105129852
(3-bromo-5-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 107947833
2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63428543
1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635183

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[4-(2-methylpropyl)phenyl]methanol?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[4-(2-methylpropyl)phenyl]methanol (CID 114637035) is (4-chloro-1-methylpyrazol-5-yl)-[4-(2-methylpropyl)phenyl]methanol.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-[4-(2-methylpropyl)phenyl]methanol?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-[4-(2-methylpropyl)phenyl]methanol is CC(C)Cc1ccc(C(O)c2c(Cl)cnn2C)cc1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-[4-(2-methylpropyl)phenyl]methanol?
The InChIKey is IWUVOMHQKRJUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-10(2)8-11-4-6-12(7-5-11)15(19)14-13(16)9-17-18(14)3/h4-7,9-10,15,19H,8H2,1-3H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-[4-(2-methylpropyl)phenyl]methanol?
(4-chloro-1-methylpyrazol-5-yl)-[4-(2-methylpropyl)phenyl]methanol has a molecular weight of 278.78 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-[4-(2-methylpropyl)phenyl]methanol is sourced from PubChem (CID 114637035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).