(4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol

C15H19ClN2O — CID 114635071

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H19ClN2O/c1-4-7-18-14(13(16)9-17-18)15(19)12-6-5-10(2)11(3)8-12/h5-6,8-9,15,19H,4,7H2,1-3H3
InChIKeyCYIDOQBSKSSPTI-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.65
Rot. Bonds4

About (4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol

(4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol (PubChem CID 114635071) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol
PubChem CID114635071
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H19ClN2O/c1-4-7-18-14(13(16)9-17-18)15(19)12-6-5-10(2)11(3)8-12/h5-6,8-9,15,19H,4,7H2,1-3H3
InChIKeyCYIDOQBSKSSPTI-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114645995
(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
CID 114635404
(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
CID 105128459
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methoxy-4-methylphenyl)methanol
CID 115839458
(4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol
CID 114645112
(4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol
CID 114634063
(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 106859533
(3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835104
(4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol
CID 114634224
(4-bromo-3-methylphenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 114637324
(4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol
CID 114636989
(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105128541

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol (CID 114635071) is (4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol is CCCn1ncc(Cl)c1C(O)c1ccc(C)c(C)c1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol?
The InChIKey is CYIDOQBSKSSPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-4-7-18-14(13(16)9-17-18)15(19)12-6-5-10(2)11(3)8-12/h5-6,8-9,15,19H,4,7H2,1-3H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol?
(4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol has a molecular weight of 278.78 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol is sourced from PubChem (CID 114635071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).