(3-chloro-4-methoxyphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol

C14H16Cl2N2O2 — CID 114636145

IUPAC(3-chloro-4-methoxyphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
SMILESCOc1ccc(C(O)c2c(Cl)cnn2C(C)C)cc1Cl
InChIInChI=1S/C14H16Cl2N2O2/c1-8(2)18-13(11(16)7-17-18)14(19)9-4-5-12(20-3)10(15)6-9/h4-8,14,19H,1-3H3
InChIKeyGQCPMQXOAAXHAC-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.86
Rot. Bonds4

About (3-chloro-4-methoxyphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol

(3-chloro-4-methoxyphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol (PubChem CID 114636145) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
PubChem CID114636145
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name(3-chloro-4-methoxyphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
SMILESCOc1ccc(C(O)c2c(Cl)cnn2C(C)C)cc1Cl
InChIInChI=1S/C14H16Cl2N2O2/c1-8(2)18-13(11(16)7-17-18)14(19)9-4-5-12(20-3)10(15)6-9/h4-8,14,19H,1-3H3
InChIKeyGQCPMQXOAAXHAC-UHFFFAOYSA-N
XLogP3.86
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114635288
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
CID 114634816
(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinoxalin-6-ylmethanol
CID 114643685
4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]benzonitrile
CID 114637563
(4-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114634045
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
CID 114643216
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methanol
CID 114635272
(4-chloro-1-propan-2-ylpyrazol-5-yl)-pyridazin-4-ylmethanol
CID 105128171
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 114635032
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115835327
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methoxy-4-methylphenyl)methanol
CID 115839458
(2,6-dichlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114634463

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol (CID 114636145) is (3-chloro-4-methoxyphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol is COc1ccc(C(O)c2c(Cl)cnn2C(C)C)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol?
The InChIKey is GQCPMQXOAAXHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-8(2)18-13(11(16)7-17-18)14(19)9-4-5-12(20-3)10(15)6-9/h4-8,14,19H,1-3H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol?
(3-chloro-4-methoxyphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol has a molecular weight of 315.20 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol is sourced from PubChem (CID 114636145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).