[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanol

C14H22BrN5O — CID 105127910

IUPAC[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanol
SMILESCCc1cc(C(O)c2c(Br)cnn2CCN(C)C)n(C)n1
InChIInChI=1S/C14H22BrN5O/c1-5-10-8-12(19(4)17-10)14(21)13-11(15)9-16-20(13)7-6-18(2)3/h8-9,14,21H,5-7H2,1-4H3
InChIKeyRKIUINLRYIQWTD-UHFFFAOYSA-N
MW356.27 g/mol
LogP1.58
Rot. Bonds6

About [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanol

[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanol (PubChem CID 105127910) has the molecular formula C14H22BrN5O and a molecular weight of 356.27 g/mol. Its IUPAC name is [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanol
PubChem CID105127910
Molecular FormulaC14H22BrN5O
Molecular Weight356.27 g/mol
Exact Mass355.10
IUPAC Name[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanol
SMILESCCc1cc(C(O)c2c(Br)cnn2CCN(C)C)n(C)n1
InChIInChI=1S/C14H22BrN5O/c1-5-10-8-12(19(4)17-10)14(21)13-11(15)9-16-20(13)7-6-18(2)3/h8-9,14,21H,5-7H2,1-4H3
InChIKeyRKIUINLRYIQWTD-UHFFFAOYSA-N
XLogP1.58
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 105127642
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-ethylpyrazol-3-yl)methanol
CID 114638722
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-ethylfuran-2-yl)methanol
CID 114635196
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol
CID 114635495
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-(diethylamino)propan-1-ol
CID 114644599
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-bromophenyl)methanol
CID 114634904
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-bromo-3-methylphenyl)methanol
CID 114637331
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-bromo-5-fluorophenyl)methanol
CID 115834985
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,5-dimethylphenyl)methanol
CID 114634948
(4-bromo-2-chlorophenyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
CID 114638567
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,5-dichlorothiophen-3-yl)methanol
CID 107969895
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2,2-trifluoroethanol
CID 114643507

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanol?
The IUPAC name of [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanol (CID 105127910) is [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanol.
What is the SMILES notation for [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanol?
The canonical SMILES for [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanol is CCc1cc(C(O)c2c(Br)cnn2CCN(C)C)n(C)n1.
What is the InChIKey of [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanol?
The InChIKey is RKIUINLRYIQWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN5O/c1-5-10-8-12(19(4)17-10)14(21)13-11(15)9-16-20(13)7-6-18(2)3/h8-9,14,21H,5-7H2,1-4H3.
What are the key properties of [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanol?
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanol has a molecular weight of 356.27 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanol is sourced from PubChem (CID 105127910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).