1-butyl-4-(1H-pyrazole-4-carbonyl)piperazin-2-one

C12H18N4O2 — CID 77083126

IUPAC1-butyl-4-(1H-pyrazole-4-carbonyl)piperazin-2-one
SMILESCCCCN1CCN(C(=O)c2cn[nH]c2)CC1=O
InChIInChI=1S/C12H18N4O2/c1-2-3-4-15-5-6-16(9-11(15)17)12(18)10-7-13-14-8-10/h7-8H,2-6,9H2,1H3,(H,13,14)
InChIKeyYDPXNNBCMCKDRU-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.49
Rot. Bonds4

About 1-butyl-4-(1H-pyrazole-4-carbonyl)piperazin-2-one

1-butyl-4-(1H-pyrazole-4-carbonyl)piperazin-2-one (PubChem CID 77083126) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-butyl-4-(1H-pyrazole-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-butyl-4-(1H-pyrazole-4-carbonyl)piperazin-2-one
PubChem CID77083126
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-butyl-4-(1H-pyrazole-4-carbonyl)piperazin-2-one
SMILESCCCCN1CCN(C(=O)c2cn[nH]c2)CC1=O
InChIInChI=1S/C12H18N4O2/c1-2-3-4-15-5-6-16(9-11(15)17)12(18)10-7-13-14-8-10/h7-8H,2-6,9H2,1H3,(H,13,14)
InChIKeyYDPXNNBCMCKDRU-UHFFFAOYSA-N
XLogP0.49
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(1H-pyrazole-4-carbonyl)piperazin-2-one?
The IUPAC name of 1-butyl-4-(1H-pyrazole-4-carbonyl)piperazin-2-one (CID 77083126) is 1-butyl-4-(1H-pyrazole-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-butyl-4-(1H-pyrazole-4-carbonyl)piperazin-2-one?
The canonical SMILES for 1-butyl-4-(1H-pyrazole-4-carbonyl)piperazin-2-one is CCCCN1CCN(C(=O)c2cn[nH]c2)CC1=O.
What is the InChIKey of 1-butyl-4-(1H-pyrazole-4-carbonyl)piperazin-2-one?
The InChIKey is YDPXNNBCMCKDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-3-4-15-5-6-16(9-11(15)17)12(18)10-7-13-14-8-10/h7-8H,2-6,9H2,1H3,(H,13,14).
What are the key properties of 1-butyl-4-(1H-pyrazole-4-carbonyl)piperazin-2-one?
1-butyl-4-(1H-pyrazole-4-carbonyl)piperazin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(1H-pyrazole-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 77083126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).