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

C11H10Cl2N2O — CID 115068574

IUPAC[5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol
SMILESOCc1cnn(Cc2ccccc2Cl)c1Cl
InChIInChI=1S/C11H10Cl2N2O/c12-10-4-2-1-3-8(10)6-15-11(13)9(7-16)5-14-15/h1-5,16H,6-7H2
InChIKeySBDURNALEBBRRH-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.73
Rot. Bonds3

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

[5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol (PubChem CID 115068574) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is [5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol
PubChem CID115068574
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name[5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol
SMILESOCc1cnn(Cc2ccccc2Cl)c1Cl
InChIInChI=1S/C11H10Cl2N2O/c12-10-4-2-1-3-8(10)6-15-11(13)9(7-16)5-14-15/h1-5,16H,6-7H2
InChIKeySBDURNALEBBRRH-UHFFFAOYSA-N
XLogP2.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-chlorophenyl)methyl]-5-cyclopropylpyrazol-4-yl]methanol
CID 66437255
2-[1-[(2-bromophenyl)methyl]-5-chloropyrazol-4-yl]ethanol
CID 115068582
4-(chloromethyl)-1-[(2-chlorophenyl)methyl]-5-ethylpyrazole
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[5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 115068523
1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine
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[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methanol
CID 16769903
[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]methanamine
CID 115069265
[1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol
CID 82203375
4-chloro-2-[(2-chlorophenyl)methyl]-5-methylpyridazin-3-one
CID 129240521
[2-[[[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methylamino]methyl]phenyl]methanol
CID 47626641
N-[[1-[(2-chlorophenyl)methyl]-5-(difluoromethyl)pyrazol-4-yl]methyl]ethanamine
CID 66442604
[1-[(2-chlorophenyl)methyl]-5-(methoxymethyl)triazol-4-yl]methanol
CID 82203421

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol (CID 115068574) is [5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol is OCc1cnn(Cc2ccccc2Cl)c1Cl.
What is the InChIKey of [5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol?
The InChIKey is SBDURNALEBBRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c12-10-4-2-1-3-8(10)6-15-11(13)9(7-16)5-14-15/h1-5,16H,6-7H2.
What are the key properties of [5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol?
[5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol has a molecular weight of 257.12 g/mol, XLogP of 2.73, 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]pyrazol-4-yl]methanol is sourced from PubChem (CID 115068574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).