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

C24H34Br2N8O2 — CID 164981666

IUPAC(3-bromo-1-methylpyrazol-4-yl)-(1,3-diethylpyrazol-4-yl)methanol
SMILESCCc1nn(CC)cc1C(O)c1cn(C)nc1Br.CCc1nn(CC)cc1C(O)c1cn(C)nc1Br
InChIInChI=1S/2C12H17BrN4O/c2*1-4-10-8(7-17(5-2)14-10)11(18)9-6-16(3)15-12(9)13/h2*6-7,11,18H,4-5H2,1-3H3
InChIKeyFOTIKJJAQRTNCW-UHFFFAOYSA-N
MW626.40 g/mol
LogP4.09
Rot. Bonds8

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 164981666) has the molecular formula C24H34Br2N8O2 and a molecular weight of 626.40 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 CID164981666
Molecular FormulaC24H34Br2N8O2
Molecular Weight626.40 g/mol
Exact Mass624.12
IUPAC Name(3-bromo-1-methylpyrazol-4-yl)-(1,3-diethylpyrazol-4-yl)methanol
SMILESCCc1nn(CC)cc1C(O)c1cn(C)nc1Br.CCc1nn(CC)cc1C(O)c1cn(C)nc1Br
InChIInChI=1S/2C12H17BrN4O/c2*1-4-10-8(7-17(5-2)14-10)11(18)9-6-16(3)15-12(9)13/h2*6-7,11,18H,4-5H2,1-3H3
InChIKeyFOTIKJJAQRTNCW-UHFFFAOYSA-N
XLogP4.09
TPSA111.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500626.40
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

(3-Bromo-1-methylpyrazol-4-yl)-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]methanol
CID 164718899
1-Ethyl-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole;[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol
CID 165035595
(3-Bromo-1-methylpyrazol-4-yl)-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol
CID 178128961
(3-Bromo-1-methylpyrazol-4-yl)-(1-ethyl-3-propan-2-ylpyrazol-4-yl)methanol
CID 164719345
(3-Bromo-1-methylpyrazol-4-yl)-(1-ethyl-3-methylpyrazol-4-yl)methanol
CID 164719416
(3-Bromo-1-methylpyrazol-4-yl)-(1,3-diethylpyrazol-4-yl)methanol
CID 164719582
3-Bromo-1-methylpyrazole-4-carbaldehyde;4-[(3-bromo-1-methylpyrazol-4-yl)-hydroxymethyl]-1-ethylpyrazole-3-carbonitrile;1-ethyl-4-iodopyrazole-3-carbonitrile
CID 164949392
[1-(Cyclopropylmethyl)-3-methylpyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol
CID 164951040
(3-Bromo-1-tert-butylpyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanol
CID 164951066
4-[(3-Bromo-1-methylpyrazol-4-yl)-hydroxymethyl]-1-ethylpyrazole-3-carbonitrile;4-[(3-bromo-1-methylpyrazol-4-yl)methyl]-1-ethylpyrazole-3-carbonitrile
CID 164951702
3-Bromo-4-iodo-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-(1-ethyl-3-methylpyrazol-4-yl)methanol;1-ethyl-3-methylpyrazole-4-carbaldehyde
CID 164969656
3-Bromo-4-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]methyl]-1-methylpyrazole;(3-bromo-1-methylpyrazol-4-yl)-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]methanol
CID 164976231

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 164981666) 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.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 FOTIKJJAQRTNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H17BrN4O/c2*1-4-10-8(7-17(5-2)14-10)11(18)9-6-16(3)15-12(9)13/h2*6-7,11,18H,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 626.40 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 10 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 164981666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).