6-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]naphthalen-2-ol

C16H14F2N2O — CID 167935933

IUPAC6-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]naphthalen-2-ol
SMILESCc1nn(C(F)F)c(C)c1-c1ccc2cc(O)ccc2c1
InChIInChI=1S/C16H14F2N2O/c1-9-15(10(2)20(19-9)16(17)18)13-4-3-12-8-14(21)6-5-11(12)7-13/h3-8,16,21H,1-2H3
InChIKeyBQKFAXDGVCCGHH-UHFFFAOYSA-N
MW288.30 g/mol
LogP4.42
Rot. Bonds2

About 6-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]naphthalen-2-ol

6-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]naphthalen-2-ol (PubChem CID 167935933) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 6-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]naphthalen-2-ol
PubChem CID167935933
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name6-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]naphthalen-2-ol
SMILESCc1nn(C(F)F)c(C)c1-c1ccc2cc(O)ccc2c1
InChIInChI=1S/C16H14F2N2O/c1-9-15(10(2)20(19-9)16(17)18)13-4-3-12-8-14(21)6-5-11(12)7-13/h3-8,16,21H,1-2H3
InChIKeyBQKFAXDGVCCGHH-UHFFFAOYSA-N
XLogP4.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(Dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol
CID 25192947
6-(1-Methyl-3-(pyridin-4-yl)-1h-pyrazol-4-yl)naphthalen-2-ol
CID 11659444
4-[1-isopropyl-7-(trifluoromethyl)-1H-indazol-3-yl]phenol
CID 135428120
4-[1-isopropyl-7-(trifluoromethyl)-1H-indazol-3-yl]-3-methylphenol
CID 135507439
4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]-3-methylphenol
CID 135524884
4-(5-(2,5-dimethylphenyl)-1-methyl-1H-pyrazol-3-yl)phenol
CID 135546507
1-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)imino]methyl}-2-naphthol
CID 780497
6-(3-Hydroxyphenyl)-1-(1-methylpyrazol-4-yl)naphthalen-2-ol
CID 50942605
6-[2-(2,2,2-Trifluoroethyl)pyrazol-3-yl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
CID 136259467
1-(5-Methyl-1-phenyl-pyrazol-3-yl)naphthalen-2-ol
CID 135465490
1-[5-Methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-2-ol
CID 135465491
1-[5-Methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-2-ol
CID 135465492

Frequently Asked Questions

What is the IUPAC name of 6-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]naphthalen-2-ol?
The IUPAC name of 6-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]naphthalen-2-ol (CID 167935933) is 6-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]naphthalen-2-ol.
What is the SMILES notation for 6-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]naphthalen-2-ol?
The canonical SMILES for 6-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]naphthalen-2-ol is Cc1nn(C(F)F)c(C)c1-c1ccc2cc(O)ccc2c1.
What is the InChIKey of 6-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]naphthalen-2-ol?
The InChIKey is BQKFAXDGVCCGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-9-15(10(2)20(19-9)16(17)18)13-4-3-12-8-14(21)6-5-11(12)7-13/h3-8,16,21H,1-2H3.
What are the key properties of 6-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]naphthalen-2-ol?
6-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]naphthalen-2-ol has a molecular weight of 288.30 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]naphthalen-2-ol is sourced from PubChem (CID 167935933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).