4-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-2-one

C11H13BrN4O2 — CID 47426743

IUPAC4-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2n[nH]c(C3CC3)c2Br)CCN1
InChIInChI=1S/C11H13BrN4O2/c12-8-9(6-1-2-6)14-15-10(8)11(18)16-4-3-13-7(17)5-16/h6H,1-5H2,(H,13,17)(H,14,15)
InChIKeyXMJVYYMITNLYQO-UHFFFAOYSA-N
MW313.16 g/mol
LogP0.62
Rot. Bonds2

About 4-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-2-one

4-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-2-one (PubChem CID 47426743) has the molecular formula C11H13BrN4O2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 4-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-2-one
PubChem CID47426743
Molecular FormulaC11H13BrN4O2
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name4-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2n[nH]c(C3CC3)c2Br)CCN1
InChIInChI=1S/C11H13BrN4O2/c12-8-9(6-1-2-6)14-15-10(8)11(18)16-4-3-13-7(17)5-16/h6H,1-5H2,(H,13,17)(H,14,15)
InChIKeyXMJVYYMITNLYQO-UHFFFAOYSA-N
XLogP0.62
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropyl-1H-pyrazole-5-carbonyl)piperidine
CID 40008644
N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873445
4-bromo-5-cyclopropyl-N-propyl-1H-pyrazole-3-carboxamide
CID 47080056
4-bromo-5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 47426507
(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 47427180
(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 53565796
4-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-cyclopropylpiperazin-2-one
CID 71855470
4-chloro-5-cyclopropyl-N-(1-cyclopropylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 71921540
4-bromo-5-cyclopropyl-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-1H-pyrazole-3-carboxamide
CID 72151972
N-cyclopropyl-5-pentanoyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 93003929
4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-2-one
CID 45873507
5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 47030907

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-2-one?
The IUPAC name of 4-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-2-one (CID 47426743) is 4-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-2-one is O=C1CN(C(=O)c2n[nH]c(C3CC3)c2Br)CCN1.
What is the InChIKey of 4-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-2-one?
The InChIKey is XMJVYYMITNLYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2/c12-8-9(6-1-2-6)14-15-10(8)11(18)16-4-3-13-7(17)5-16/h6H,1-5H2,(H,13,17)(H,14,15).
What are the key properties of 4-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-2-one?
4-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-2-one has a molecular weight of 313.16 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 47426743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).