[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methanol

C12H12Cl2N2O — CID 16769903

IUPAC[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methanol
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1CO
InChIInChI=1S/C12H12Cl2N2O/c1-8-10(7-17)12(14)16(15-8)6-9-4-2-3-5-11(9)13/h2-5,17H,6-7H2,1H3
InChIKeyPORYWPKZHXJUEQ-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.04
Rot. Bonds3

About [5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methanol

[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methanol (PubChem CID 16769903) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is [5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methanol
PubChem CID16769903
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methanol
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1CO
InChIInChI=1S/C12H12Cl2N2O/c1-8-10(7-17)12(14)16(15-8)6-9-4-2-3-5-11(9)13/h2-5,17H,6-7H2,1H3
InChIKeyPORYWPKZHXJUEQ-UHFFFAOYSA-N
XLogP3.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methylamino]methyl]phenyl]methanol
CID 47626641
5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777250
2-[(2-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine
CID 63276587
(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanol
CID 61265708
1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 2451344
3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 79225656
[5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol
CID 115068574
[1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol
CID 43647395
[1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol
CID 82203375
1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate
CID 2451343
5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide
CID 29200902
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide
CID 78774668

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methanol (CID 16769903) is [5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methanol is Cc1nn(Cc2ccccc2Cl)c(Cl)c1CO.
What is the InChIKey of [5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methanol?
The InChIKey is PORYWPKZHXJUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-8-10(7-17)12(14)16(15-8)6-9-4-2-3-5-11(9)13/h2-5,17H,6-7H2,1H3.
What are the key properties of [5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methanol?
[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methanol has a molecular weight of 271.15 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methanol is sourced from PubChem (CID 16769903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).