(1-methylpyrazol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanol

C11H7F5N2O — CID 103138624

IUPAC(1-methylpyrazol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanol
SMILESCn1ccc(C(O)c2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C11H7F5N2O/c1-18-3-2-4(17-18)11(19)5-6(12)8(14)10(16)9(15)7(5)13/h2-3,11,19H,1H3
InChIKeyLVQKGGYMKVQRKJ-UHFFFAOYSA-N
MW278.18 g/mol
LogP2.20
Rot. Bonds2

About (1-methylpyrazol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanol

(1-methylpyrazol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanol (PubChem CID 103138624) has the molecular formula C11H7F5N2O and a molecular weight of 278.18 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanol.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanol
PubChem CID103138624
Molecular FormulaC11H7F5N2O
Molecular Weight278.18 g/mol
Exact Mass278.05
IUPAC Name(1-methylpyrazol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanol
SMILESCn1ccc(C(O)c2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C11H7F5N2O/c1-18-3-2-4(17-18)11(19)5-6(12)8(14)10(16)9(15)7(5)13/h2-3,11,19H,1H3
InChIKeyLVQKGGYMKVQRKJ-UHFFFAOYSA-N
XLogP2.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (1-methylpyrazol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol
CID 65195591
2-amino-1-(1-methylpyrazol-3-yl)propan-1-ol
CID 82595674
2-methyl-1-(1-methylpyrazol-3-yl)propan-1-ol
CID 59693997
(3-chloro-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanol
CID 103130254
(4,5-dibromofuran-2-yl)-(1-methylpyrazol-3-yl)methanol
CID 103130127
(1-methylpyrazol-3-yl)-(thiadiazol-4-yl)methanol
CID 103138794
(1-methylpyrazol-3-yl)-(5-methyl-2-pyridinyl)methanol
CID 103130257
(5-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
CID 103138856
(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanol
CID 107103544
(2-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol
CID 106859629
(3-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol
CID 103138629
cyclopentyl-(1-methylpyrazol-3-yl)methanol
CID 65195941

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanol?
The IUPAC name of (1-methylpyrazol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanol (CID 103138624) is (1-methylpyrazol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanol.
What is the SMILES notation for (1-methylpyrazol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanol?
The canonical SMILES for (1-methylpyrazol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanol is Cn1ccc(C(O)c2c(F)c(F)c(F)c(F)c2F)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanol?
The InChIKey is LVQKGGYMKVQRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5N2O/c1-18-3-2-4(17-18)11(19)5-6(12)8(14)10(16)9(15)7(5)13/h2-3,11,19H,1H3.
What are the key properties of (1-methylpyrazol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanol?
(1-methylpyrazol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanol has a molecular weight of 278.18 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanol is sourced from PubChem (CID 103138624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).