N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide

C12H19N5O2 — CID 107437463

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
SMILESCCc1nn(C)cc1CNC(=O)C1CNC(=O)CN1
InChIInChI=1S/C12H19N5O2/c1-3-9-8(7-17(2)16-9)4-15-12(19)10-5-14-11(18)6-13-10/h7,10,13H,3-6H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyUYHKBSQEYRNHBB-UHFFFAOYSA-N
MW265.32 g/mol
LogP-1.31
Rot. Bonds4

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107437463) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
PubChem CID107437463
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
SMILESCCc1nn(C)cc1CNC(=O)C1CNC(=O)CN1
InChIInChI=1S/C12H19N5O2/c1-3-9-8(7-17(2)16-9)4-15-12(19)10-5-14-11(18)6-13-10/h7,10,13H,3-6H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyUYHKBSQEYRNHBB-UHFFFAOYSA-N
XLogP-1.31
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 112669300
N-[(1-methylpyrazol-3-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107437406
2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 115886751
5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688886
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide
CID 107435917
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
3-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 115989215
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107435967
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpiperazine-2-carboxamide
CID 112669965
1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
CID 115887050
N-(1-methylpyrazol-3-yl)-5-oxopiperazine-2-carboxamide
CID 107434741
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxy-2-methylpropanamide
CID 103430361

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide (CID 107437463) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide is CCc1nn(C)cc1CNC(=O)C1CNC(=O)CN1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is UYHKBSQEYRNHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-3-9-8(7-17(2)16-9)4-15-12(19)10-5-14-11(18)6-13-10/h7,10,13H,3-6H2,1-2H3,(H,14,18)(H,15,19).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107437463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).