(2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol

C12H13ClN2O2 — CID 114634561

IUPAC(2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
SMILESCOc1cnn(C)c1C(O)c1ccccc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-15-11(10(17-2)7-14-15)12(16)8-5-3-4-6-9(8)13/h3-7,12,16H,1-2H3
InChIKeyQHCKLADFLSTVAL-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.16
Rot. Bonds3

About (2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol

(2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol (PubChem CID 114634561) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is (2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
PubChem CID114634561
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name(2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
SMILESCOc1cnn(C)c1C(O)c1ccccc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-15-11(10(17-2)7-14-15)12(16)8-5-3-4-6-9(8)13/h3-7,12,16H,1-2H3
InChIKeyQHCKLADFLSTVAL-UHFFFAOYSA-N
XLogP2.16
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634621
(2-methoxy-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 115836879
(2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047303
[2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114644854
2,3-dihydro-1H-indol-7-yl-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114638224
(4-methoxy-1-methylpyrazol-5-yl)-thiophen-2-ylmethanol
CID 114634516
(4-chloro-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol
CID 105066457
1-(3-chloro-2-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 107103127
[5-fluoro-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645117
(4-methoxy-1-methylpyrazol-5-yl)-(4-methylsulfanylphenyl)methanol
CID 115836806
(3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 103443925
(2-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 63895830

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol?
The IUPAC name of (2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol (CID 114634561) is (2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol.
What is the SMILES notation for (2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol?
The canonical SMILES for (2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol is COc1cnn(C)c1C(O)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol?
The InChIKey is QHCKLADFLSTVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-15-11(10(17-2)7-14-15)12(16)8-5-3-4-6-9(8)13/h3-7,12,16H,1-2H3.
What are the key properties of (2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol?
(2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol has a molecular weight of 252.70 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol is sourced from PubChem (CID 114634561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).