(2-chloro-4-fluorophenyl)-[5-(2,6-difluorophenyl)-1,3-dimethylpyrazol-4-yl]methanol

C18H14ClF3N2O — CID 141429995

IUPAC(2-chloro-4-fluorophenyl)-[5-(2,6-difluorophenyl)-1,3-dimethylpyrazol-4-yl]methanol
SMILESCc1nn(C)c(-c2c(F)cccc2F)c1C(O)c1ccc(F)cc1Cl
InChIInChI=1S/C18H14ClF3N2O/c1-9-15(18(25)11-7-6-10(20)8-12(11)19)17(24(2)23-9)16-13(21)4-3-5-14(16)22/h3-8,18,25H,1-2H3
InChIKeyKDUNAVUYBNJPSU-UHFFFAOYSA-N
MW366.77 g/mol
LogP4.55
Rot. Bonds3

About (2-chloro-4-fluorophenyl)-[5-(2,6-difluorophenyl)-1,3-dimethylpyrazol-4-yl]methanol

(2-chloro-4-fluorophenyl)-[5-(2,6-difluorophenyl)-1,3-dimethylpyrazol-4-yl]methanol (PubChem CID 141429995) has the molecular formula C18H14ClF3N2O and a molecular weight of 366.77 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[5-(2,6-difluorophenyl)-1,3-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[5-(2,6-difluorophenyl)-1,3-dimethylpyrazol-4-yl]methanol
PubChem CID141429995
Molecular FormulaC18H14ClF3N2O
Molecular Weight366.77 g/mol
Exact Mass366.07
IUPAC Name(2-chloro-4-fluorophenyl)-[5-(2,6-difluorophenyl)-1,3-dimethylpyrazol-4-yl]methanol
SMILESCc1nn(C)c(-c2c(F)cccc2F)c1C(O)c1ccc(F)cc1Cl
InChIInChI=1S/C18H14ClF3N2O/c1-9-15(18(25)11-7-6-10(20)8-12(11)19)17(24(2)23-9)16-13(21)4-3-5-14(16)22/h3-8,18,25H,1-2H3
InChIKeyKDUNAVUYBNJPSU-UHFFFAOYSA-N
XLogP4.55
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.77
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[5-(2,6-difluorophenyl)-1,3-dimethylpyrazol-4-yl]methanol?
The IUPAC name of (2-chloro-4-fluorophenyl)-[5-(2,6-difluorophenyl)-1,3-dimethylpyrazol-4-yl]methanol (CID 141429995) is (2-chloro-4-fluorophenyl)-[5-(2,6-difluorophenyl)-1,3-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[5-(2,6-difluorophenyl)-1,3-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[5-(2,6-difluorophenyl)-1,3-dimethylpyrazol-4-yl]methanol is Cc1nn(C)c(-c2c(F)cccc2F)c1C(O)c1ccc(F)cc1Cl.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[5-(2,6-difluorophenyl)-1,3-dimethylpyrazol-4-yl]methanol?
The InChIKey is KDUNAVUYBNJPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2O/c1-9-15(18(25)11-7-6-10(20)8-12(11)19)17(24(2)23-9)16-13(21)4-3-5-14(16)22/h3-8,18,25H,1-2H3.
What are the key properties of (2-chloro-4-fluorophenyl)-[5-(2,6-difluorophenyl)-1,3-dimethylpyrazol-4-yl]methanol?
(2-chloro-4-fluorophenyl)-[5-(2,6-difluorophenyl)-1,3-dimethylpyrazol-4-yl]methanol has a molecular weight of 366.77 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[5-(2,6-difluorophenyl)-1,3-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 141429995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).