(4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trimethoxyphenyl)methanol

C14H17ClN2O4 — CID 114634559

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(C(O)c2c(Cl)cnn2C)cc(OC)c1OC
InChIInChI=1S/C14H17ClN2O4/c1-17-12(9(15)7-16-17)13(18)8-5-10(19-2)14(21-4)11(6-8)20-3/h5-7,13,18H,1-4H3
InChIKeyQEZKETVEWBHSHC-UHFFFAOYSA-N
MW312.75 g/mol
LogP2.18
Rot. Bonds5

About (4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trimethoxyphenyl)methanol

(4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trimethoxyphenyl)methanol (PubChem CID 114634559) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trimethoxyphenyl)methanol
PubChem CID114634559
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(C(O)c2c(Cl)cnn2C)cc(OC)c1OC
InChIInChI=1S/C14H17ClN2O4/c1-17-12(9(15)7-16-17)13(18)8-5-10(19-2)14(21-4)11(6-8)20-3/h5-7,13,18H,1-4H3
InChIKeyQEZKETVEWBHSHC-UHFFFAOYSA-N
XLogP2.18
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(6-methoxynaphthalen-2-yl)methanol
CID 114634999
(3-bromo-5-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 107947833
(4-chloro-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol
CID 105066457
(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105129852
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634496
(4-chloro-1-methylpyrazol-5-yl)-[4-(2-methylpropyl)phenyl]methanol
CID 114637035
(4-butoxyphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 105129781
(7-chloro-1,3-benzodioxol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 114634492
(2-chloro-4-methoxypyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol
CID 15147552
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methoxy-4-methylphenyl)methanol
CID 115839458
1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635183
(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 114634286

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trimethoxyphenyl)methanol?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trimethoxyphenyl)methanol (CID 114634559) is (4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trimethoxyphenyl)methanol.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trimethoxyphenyl)methanol?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trimethoxyphenyl)methanol is COc1cc(C(O)c2c(Cl)cnn2C)cc(OC)c1OC.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trimethoxyphenyl)methanol?
The InChIKey is QEZKETVEWBHSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-17-12(9(15)7-16-17)13(18)8-5-10(19-2)14(21-4)11(6-8)20-3/h5-7,13,18H,1-4H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trimethoxyphenyl)methanol?
(4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trimethoxyphenyl)methanol has a molecular weight of 312.75 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trimethoxyphenyl)methanol is sourced from PubChem (CID 114634559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).