(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanol

C12H17BrN4O — CID 105127642

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
SMILESCCc1cc(C(O)c2c(Br)cnn2CC)n(C)n1
InChIInChI=1S/C12H17BrN4O/c1-4-8-6-10(16(3)15-8)12(18)11-9(13)7-14-17(11)5-2/h6-7,12,18H,4-5H2,1-3H3
InChIKeyPTBKAAUWLHGUCI-UHFFFAOYSA-N
MW313.20 g/mol
LogP2.04
Rot. Bonds4

About (4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanol

(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanol (PubChem CID 105127642) has the molecular formula C12H17BrN4O and a molecular weight of 313.20 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
PubChem CID105127642
Molecular FormulaC12H17BrN4O
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
SMILESCCc1cc(C(O)c2c(Br)cnn2CC)n(C)n1
InChIInChI=1S/C12H17BrN4O/c1-4-8-6-10(16(3)15-8)12(18)11-9(13)7-14-17(11)5-2/h6-7,12,18H,4-5H2,1-3H3
InChIKeyPTBKAAUWLHGUCI-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

[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 105127910
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine
CID 105182837
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine
CID 105183128
(4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol
CID 114634828
(3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanol
CID 105080944
(4-bromo-1-ethylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 114638019
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133596
(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol
CID 115834800
(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896
(4-bromo-1-propylpyrazol-5-yl)-(3-propylimidazol-4-yl)methanol
CID 114636681
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol
CID 115834761

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanol?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanol (CID 105127642) is (4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanol.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanol?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanol is CCc1cc(C(O)c2c(Br)cnn2CC)n(C)n1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanol?
The InChIKey is PTBKAAUWLHGUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O/c1-4-8-6-10(16(3)15-8)12(18)11-9(13)7-14-17(11)5-2/h6-7,12,18H,4-5H2,1-3H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanol?
(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-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 (4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanol is sourced from PubChem (CID 105127642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).