(3-bromo-1-tert-butylpyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanol

C13H19BrN4O — CID 164718784

IUPAC(3-bromo-1-tert-butylpyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cn(C(C)(C)C)nc2Br)cn1
InChIInChI=1S/C13H19BrN4O/c1-5-17-7-9(6-15-17)11(19)10-8-18(13(2,3)4)16-12(10)14/h6-8,11,19H,5H2,1-4H3
InChIKeyLBSYGUHOAWSSLR-UHFFFAOYSA-N
MW327.23 g/mol
LogP2.70
Rot. Bonds3

About (3-bromo-1-tert-butylpyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanol

(3-bromo-1-tert-butylpyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanol (PubChem CID 164718784) has the molecular formula C13H19BrN4O and a molecular weight of 327.23 g/mol. Its IUPAC name is (3-bromo-1-tert-butylpyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3-bromo-1-tert-butylpyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanol
PubChem CID164718784
Molecular FormulaC13H19BrN4O
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC Name(3-bromo-1-tert-butylpyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cn(C(C)(C)C)nc2Br)cn1
InChIInChI=1S/C13H19BrN4O/c1-5-17-7-9(6-15-17)11(19)10-8-18(13(2,3)4)16-12(10)14/h6-8,11,19H,5H2,1-4H3
InChIKeyLBSYGUHOAWSSLR-UHFFFAOYSA-N
XLogP2.70
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-(1-ethylpyrazol-4-yl)methanol
CID 164719159
(2,5-dibromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
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(2,5-dimethylthiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
CID 63901362
(2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63895655
(4,5-dibromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanol
CID 63893672
(1-ethylpyrazol-4-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 63895454
(3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63894378
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
(2,4-difluorophenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63083868
(2,5-dichlorothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
CID 107969581
1-(1-ethylpyrazol-4-yl)propane-1,2-diol
CID 103452757
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol
CID 114636984

Frequently Asked Questions

What is the IUPAC name of (3-bromo-1-tert-butylpyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanol?
The IUPAC name of (3-bromo-1-tert-butylpyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanol (CID 164718784) is (3-bromo-1-tert-butylpyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanol.
What is the SMILES notation for (3-bromo-1-tert-butylpyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanol?
The canonical SMILES for (3-bromo-1-tert-butylpyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanol is CCn1cc(C(O)c2cn(C(C)(C)C)nc2Br)cn1.
What is the InChIKey of (3-bromo-1-tert-butylpyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanol?
The InChIKey is LBSYGUHOAWSSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O/c1-5-17-7-9(6-15-17)11(19)10-8-18(13(2,3)4)16-12(10)14/h6-8,11,19H,5H2,1-4H3.
What are the key properties of (3-bromo-1-tert-butylpyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanol?
(3-bromo-1-tert-butylpyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanol has a molecular weight of 327.23 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1-tert-butylpyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanol is sourced from PubChem (CID 164718784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).