(4-bromo-1-methylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone

C11H17BrN4O — CID 841650

IUPAC(4-bromo-1-methylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2nn(C)cc2Br)CC1
InChIInChI=1S/C11H17BrN4O/c1-3-15-4-6-16(7-5-15)11(17)10-9(12)8-14(2)13-10/h8H,3-7H2,1-2H3
InChIKeyWAZAZDYOSFWQSD-UHFFFAOYSA-N
MW301.19 g/mol
LogP0.96
Rot. Bonds2

About (4-bromo-1-methylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone

(4-bromo-1-methylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 841650) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID841650
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name(4-bromo-1-methylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2nn(C)cc2Br)CC1
InChIInChI=1S/C11H17BrN4O/c1-3-15-4-6-16(7-5-15)11(17)10-9(12)8-14(2)13-10/h8H,3-7H2,1-2H3
InChIKeyWAZAZDYOSFWQSD-UHFFFAOYSA-N
XLogP0.96
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-cyclohexyl-1-methyl-1H-pyrazole-5-carboxamide
CID 750357
1-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]azepane
CID 903069
4-bromo-N-cycloheptyl-1-methylpyrazole-3-carboxamide
CID 903382
4-bromo-N-cycloheptyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903183
4-bromo-N-cyclopentyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903308
1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane
CID 1219586
(4-Bromo-2-methylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 1219595
(4-Chloro-2-methylpyrazol-3-yl)-(4-propylpiperazin-1-yl)methanone
CID 6466398
4-bromo-N-cyclohexyl-1-methyl-1H-pyrazole-3-carboxamide
CID 661401
(4-bromo-1-methyl-1H-pyrazol-3-yl)(4-bromo-1H-pyrazol-1-yl)methanone
CID 699658
4-bromo-1-ethyl-1H-pyrazole-3-carbohydrazide
CID 840889
Ethyl 4-{[(4-bromo-1-methylpyrazol-3-yl)carbonylamino]thioxomethyl}piperazinec arboxylate
CID 1114512

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (4-bromo-1-methylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone (CID 841650) is (4-bromo-1-methylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2nn(C)cc2Br)CC1.
What is the InChIKey of (4-bromo-1-methylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is WAZAZDYOSFWQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-3-15-4-6-16(7-5-15)11(17)10-9(12)8-14(2)13-10/h8H,3-7H2,1-2H3.
What are the key properties of (4-bromo-1-methylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone?
(4-bromo-1-methylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 301.19 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-3-yl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 841650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).