(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-(4-chlorophenyl)methanol

C17H14Cl2N2O — CID 5180935

IUPAC(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-(4-chlorophenyl)methanol
SMILESCn1nc(-c2ccccc2)c(C(O)c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C17H14Cl2N2O/c1-21-17(19)14(15(20-21)11-5-3-2-4-6-11)16(22)12-7-9-13(18)10-8-12/h2-10,16,22H,1H3
InChIKeyYHDAICFSKYFDPB-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.48
Rot. Bonds3

About (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-(4-chlorophenyl)methanol

(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-(4-chlorophenyl)methanol (PubChem CID 5180935) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-(4-chlorophenyl)methanol.

Molecular Properties

Compound Name(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-(4-chlorophenyl)methanol
PubChem CID5180935
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-(4-chlorophenyl)methanol
SMILESCn1nc(-c2ccccc2)c(C(O)c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C17H14Cl2N2O/c1-21-17(19)14(15(20-21)11-5-3-2-4-6-11)16(22)12-7-9-13(18)10-8-12/h2-10,16,22H,1H3
InChIKeyYHDAICFSKYFDPB-UHFFFAOYSA-N
XLogP4.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-(4-chlorophenyl)methanol?
The IUPAC name of (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-(4-chlorophenyl)methanol (CID 5180935) is (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-(4-chlorophenyl)methanol.
What is the SMILES notation for (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-(4-chlorophenyl)methanol?
The canonical SMILES for (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-(4-chlorophenyl)methanol is Cn1nc(-c2ccccc2)c(C(O)c2ccc(Cl)cc2)c1Cl.
What is the InChIKey of (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-(4-chlorophenyl)methanol?
The InChIKey is YHDAICFSKYFDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c1-21-17(19)14(15(20-21)11-5-3-2-4-6-11)16(22)12-7-9-13(18)10-8-12/h2-10,16,22H,1H3.
What are the key properties of (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-(4-chlorophenyl)methanol?
(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-(4-chlorophenyl)methanol has a molecular weight of 333.22 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-(4-chlorophenyl)methanol is sourced from PubChem (CID 5180935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).