(3-bromo-1-methylpyrazol-4-yl)-(1,3-diethylpyrazol-4-yl)methanol

C12H17BrN4O — CID 164719582

IUPAC(3-bromo-1-methylpyrazol-4-yl)-(1,3-diethylpyrazol-4-yl)methanol
SMILESCCc1nn(CC)cc1C(O)c1cn(C)nc1Br
InChIInChI=1S/C12H17BrN4O/c1-4-10-8(7-17(5-2)14-10)11(18)9-6-16(3)15-12(9)13/h6-7,11,18H,4-5H2,1-3H3
InChIKeyIXNCFKWQAFHTFN-UHFFFAOYSA-N
MW313.20 g/mol
LogP2.04
Rot. Bonds4

About (3-bromo-1-methylpyrazol-4-yl)-(1,3-diethylpyrazol-4-yl)methanol

(3-bromo-1-methylpyrazol-4-yl)-(1,3-diethylpyrazol-4-yl)methanol (PubChem CID 164719582) has the molecular formula C12H17BrN4O and a molecular weight of 313.20 g/mol. Its IUPAC name is (3-bromo-1-methylpyrazol-4-yl)-(1,3-diethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3-bromo-1-methylpyrazol-4-yl)-(1,3-diethylpyrazol-4-yl)methanol
PubChem CID164719582
Molecular FormulaC12H17BrN4O
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name(3-bromo-1-methylpyrazol-4-yl)-(1,3-diethylpyrazol-4-yl)methanol
SMILESCCc1nn(CC)cc1C(O)c1cn(C)nc1Br
InChIInChI=1S/C12H17BrN4O/c1-4-10-8(7-17(5-2)14-10)11(18)9-6-16(3)15-12(9)13/h6-7,11,18H,4-5H2,1-3H3
InChIKeyIXNCFKWQAFHTFN-UHFFFAOYSA-N
XLogP2.04
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-bromo-1-ethylpyrazol-4-yl)-(3-iodo-1-methylpyrazol-4-yl)methanol
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(3-bromo-1-methylpyrazol-4-yl)-[3-(3,3-difluorocyclobutyl)oxy-1-ethylpyrazol-4-yl]methanol
CID 178128959
(3-ethyl-1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanol
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(3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol
CID 164719599
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 114638084
2-(4-tert-butylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 115990490
2-(3,4-dichlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 112670375
4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane
CID 165139530
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 114638085
1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103006766
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115990545

Frequently Asked Questions

What is the IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-(1,3-diethylpyrazol-4-yl)methanol?
The IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-(1,3-diethylpyrazol-4-yl)methanol (CID 164719582) is (3-bromo-1-methylpyrazol-4-yl)-(1,3-diethylpyrazol-4-yl)methanol.
What is the SMILES notation for (3-bromo-1-methylpyrazol-4-yl)-(1,3-diethylpyrazol-4-yl)methanol?
The canonical SMILES for (3-bromo-1-methylpyrazol-4-yl)-(1,3-diethylpyrazol-4-yl)methanol is CCc1nn(CC)cc1C(O)c1cn(C)nc1Br.
What is the InChIKey of (3-bromo-1-methylpyrazol-4-yl)-(1,3-diethylpyrazol-4-yl)methanol?
The InChIKey is IXNCFKWQAFHTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O/c1-4-10-8(7-17(5-2)14-10)11(18)9-6-16(3)15-12(9)13/h6-7,11,18H,4-5H2,1-3H3.
What are the key properties of (3-bromo-1-methylpyrazol-4-yl)-(1,3-diethylpyrazol-4-yl)methanol?
(3-bromo-1-methylpyrazol-4-yl)-(1,3-diethylpyrazol-4-yl)methanol has a molecular weight of 313.20 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1-methylpyrazol-4-yl)-(1,3-diethylpyrazol-4-yl)methanol is sourced from PubChem (CID 164719582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).