1-(3-bromo-1-methylpyrazol-5-yl)-4,4-difluorocyclohexan-1-ol

C10H13BrF2N2O — CID 118690723

IUPAC1-(3-bromo-1-methylpyrazol-5-yl)-4,4-difluorocyclohexan-1-ol
SMILESCn1nc(Br)cc1C1(O)CCC(F)(F)CC1
InChIInChI=1S/C10H13BrF2N2O/c1-15-7(6-8(11)14-15)9(16)2-4-10(12,13)5-3-9/h6,16H,2-5H2,1H3
InChIKeyKJMFSDFVIGPNNU-UHFFFAOYSA-N
MW295.13 g/mol
LogP2.58
Rot. Bonds1

About 1-(3-bromo-1-methylpyrazol-5-yl)-4,4-difluorocyclohexan-1-ol

1-(3-bromo-1-methylpyrazol-5-yl)-4,4-difluorocyclohexan-1-ol (PubChem CID 118690723) has the molecular formula C10H13BrF2N2O and a molecular weight of 295.13 g/mol. Its IUPAC name is 1-(3-bromo-1-methylpyrazol-5-yl)-4,4-difluorocyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-1-methylpyrazol-5-yl)-4,4-difluorocyclohexan-1-ol
PubChem CID118690723
Molecular FormulaC10H13BrF2N2O
Molecular Weight295.13 g/mol
Exact Mass294.02
IUPAC Name1-(3-bromo-1-methylpyrazol-5-yl)-4,4-difluorocyclohexan-1-ol
SMILESCn1nc(Br)cc1C1(O)CCC(F)(F)CC1
InChIInChI=1S/C10H13BrF2N2O/c1-15-7(6-8(11)14-15)9(16)2-4-10(12,13)5-3-9/h6,16H,2-5H2,1H3
InChIKeyKJMFSDFVIGPNNU-UHFFFAOYSA-N
XLogP2.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-Ethyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol
CID 70967738
2-[1-Methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]propan-2-ol
CID 71055468
2-[4-Bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-ol
CID 71055469
3-Bromo-5-(4,4-difluoro-1-methoxycyclohexyl)-1-methylpyrazole
CID 118690731
1-(2,5-Dimethylpyrazol-3-yl)-4,4-difluorocyclohexan-1-ol
CID 132236371
2-(1,3-Dimethyl-5-pyrazolyl)-1,1,1,3,3,3-hexafluoro-2-propanol
CID 140220667
2-(2,5-Dimethylpyrazol-3-yl)-1,1,1-trifluoropropan-2-ol
CID 144009954
1-[3-Bromo-1-(2-hydroxyethyl)pyrazol-5-yl]-4,4-difluorocyclohexan-1-ol
CID 177932418
2-Bromo-4',4'-difluorospiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,1'-cyclohexane]
CID 177932510
1-(1,5-Dimethylpyrazol-3-yl)-3,3-difluorocyclobutan-1-ol
CID 178046607
1-(2-Methylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756732
1-(2-Methylpyrazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759666

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-1-methylpyrazol-5-yl)-4,4-difluorocyclohexan-1-ol?
The IUPAC name of 1-(3-bromo-1-methylpyrazol-5-yl)-4,4-difluorocyclohexan-1-ol (CID 118690723) is 1-(3-bromo-1-methylpyrazol-5-yl)-4,4-difluorocyclohexan-1-ol.
What is the SMILES notation for 1-(3-bromo-1-methylpyrazol-5-yl)-4,4-difluorocyclohexan-1-ol?
The canonical SMILES for 1-(3-bromo-1-methylpyrazol-5-yl)-4,4-difluorocyclohexan-1-ol is Cn1nc(Br)cc1C1(O)CCC(F)(F)CC1.
What is the InChIKey of 1-(3-bromo-1-methylpyrazol-5-yl)-4,4-difluorocyclohexan-1-ol?
The InChIKey is KJMFSDFVIGPNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF2N2O/c1-15-7(6-8(11)14-15)9(16)2-4-10(12,13)5-3-9/h6,16H,2-5H2,1H3.
What are the key properties of 1-(3-bromo-1-methylpyrazol-5-yl)-4,4-difluorocyclohexan-1-ol?
1-(3-bromo-1-methylpyrazol-5-yl)-4,4-difluorocyclohexan-1-ol has a molecular weight of 295.13 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-1-methylpyrazol-5-yl)-4,4-difluorocyclohexan-1-ol is sourced from PubChem (CID 118690723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).