(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol

C15H19ClN2O — CID 114634943

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol
SMILESCc1ccc(C)c(C(O)c2c(Cl)cnn2C(C)C)c1
InChIInChI=1S/C15H19ClN2O/c1-9(2)18-14(13(16)8-17-18)15(19)12-7-10(3)5-6-11(12)4/h5-9,15,19H,1-4H3
InChIKeyONLNVHMGZYOEQD-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.82
Rot. Bonds3

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol (PubChem CID 114634943) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol
PubChem CID114634943
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol
SMILESCc1ccc(C)c(C(O)c2c(Cl)cnn2C(C)C)c1
InChIInChI=1S/C15H19ClN2O/c1-9(2)18-14(13(16)8-17-18)15(19)12-7-10(3)5-6-11(12)4/h5-9,15,19H,1-4H3
InChIKeyONLNVHMGZYOEQD-UHFFFAOYSA-N
XLogP3.82
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,4-dimethylphenyl)methanol
CID 114634928
(2-chloro-4-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 106858641
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanol
CID 114643493
1-(2-bromo-5-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105041667
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
CID 114643216
(2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 106859553
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
CID 114634816
(2-bromo-3,4-difluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
CID 107538287
(4-chloro-1-propan-2-ylpyrazol-5-yl)-pyridazin-4-ylmethanol
CID 105128171
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methanol
CID 114635272
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanone
CID 115804970
(5-bromofuran-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
CID 114634295

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol (CID 114634943) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol is Cc1ccc(C)c(C(O)c2c(Cl)cnn2C(C)C)c1.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol?
The InChIKey is ONLNVHMGZYOEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-9(2)18-14(13(16)8-17-18)15(19)12-7-10(3)5-6-11(12)4/h5-9,15,19H,1-4H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol has a molecular weight of 278.78 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol is sourced from PubChem (CID 114634943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).