(5-bromo-4-methyl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone

C9H13BrN4O — CID 83904063

IUPAC(5-bromo-4-methyl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone
SMILESCc1c(C(=O)N2CCNCC2)n[nH]c1Br
InChIInChI=1S/C9H13BrN4O/c1-6-7(12-13-8(6)10)9(15)14-4-2-11-3-5-14/h11H,2-5H2,1H3,(H,12,13)
InChIKeyHFIQIMJDLIGIQV-UHFFFAOYSA-N
MW273.13 g/mol
LogP0.53
Rot. Bonds1

About (5-bromo-4-methyl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone

(5-bromo-4-methyl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone (PubChem CID 83904063) has the molecular formula C9H13BrN4O and a molecular weight of 273.13 g/mol. Its IUPAC name is (5-bromo-4-methyl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(5-bromo-4-methyl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone
PubChem CID83904063
Molecular FormulaC9H13BrN4O
Molecular Weight273.13 g/mol
Exact Mass272.03
IUPAC Name(5-bromo-4-methyl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone
SMILESCc1c(C(=O)N2CCNCC2)n[nH]c1Br
InChIInChI=1S/C9H13BrN4O/c1-6-7(12-13-8(6)10)9(15)14-4-2-11-3-5-14/h11H,2-5H2,1H3,(H,12,13)
InChIKeyHFIQIMJDLIGIQV-UHFFFAOYSA-N
XLogP0.53
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride
CID 130978963
3,4-dimethyl-5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide
CID 167527770
piperazin-1-yl-(5-propan-2-yl-2H-triazol-4-yl)methanone
CID 82509572
(5-tert-butyl-2H-triazol-4-yl)-piperazin-1-ylmethanone
CID 82510921
(1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone
CID 82509564
(5-bromo-1H-indazol-3-yl)-(1,4-diazepan-1-yl)methanone
CID 119416903
piperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 82509447
(4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 82511609
(4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62083322
1-[4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 55034854
(4,5-dibromo-1H-pyrazol-3-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19297149
piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone
CID 82130774

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methyl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone?
The IUPAC name of (5-bromo-4-methyl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone (CID 83904063) is (5-bromo-4-methyl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (5-bromo-4-methyl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (5-bromo-4-methyl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone is Cc1c(C(=O)N2CCNCC2)n[nH]c1Br.
What is the InChIKey of (5-bromo-4-methyl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone?
The InChIKey is HFIQIMJDLIGIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O/c1-6-7(12-13-8(6)10)9(15)14-4-2-11-3-5-14/h11H,2-5H2,1H3,(H,12,13).
What are the key properties of (5-bromo-4-methyl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone?
(5-bromo-4-methyl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone has a molecular weight of 273.13 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methyl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 83904063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).