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

C10H15N5O2 — CID 107437406

IUPACN-[(1-methylpyrazol-3-yl)methyl]-5-oxopiperazine-2-carboxamide
SMILESCn1ccc(CNC(=O)C2CNC(=O)CN2)n1
InChIInChI=1S/C10H15N5O2/c1-15-3-2-7(14-15)4-13-10(17)8-5-12-9(16)6-11-8/h2-3,8,11H,4-6H2,1H3,(H,12,16)(H,13,17)
InChIKeyQJFHYQALMDBQRF-UHFFFAOYSA-N
MW237.26 g/mol
LogP-1.88
Rot. Bonds3

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

N-[(1-methylpyrazol-3-yl)methyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107437406) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]-5-oxopiperazine-2-carboxamide
PubChem CID107437406
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]-5-oxopiperazine-2-carboxamide
SMILESCn1ccc(CNC(=O)C2CNC(=O)CN2)n1
InChIInChI=1S/C10H15N5O2/c1-15-3-2-7(14-15)4-13-10(17)8-5-12-9(16)6-11-8/h2-3,8,11H,4-6H2,1H3,(H,12,16)(H,13,17)
InChIKeyQJFHYQALMDBQRF-UHFFFAOYSA-N
XLogP-1.88
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpyrazol-3-yl)-5-oxopiperazine-2-carboxamide
CID 107434741
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107437463
N-[(1-methylpyrazol-3-yl)methyl]azepane-2-carboxamide
CID 82873870
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107435967
2-[[(5-oxopiperazine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 107437307
5-oxo-N-(2-pyrrol-1-ylethyl)piperazine-2-carboxamide
CID 106390933
(2S)-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 82873992
methyl 4-[[(5-oxopiperazine-2-carbonyl)amino]methyl]benzoate
CID 107435812
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436502
5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2-carboxamide
CID 106381374
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-oxopiperazine-2-carboxamide
CID 107437787
N-[(2-methoxy-3-pyridinyl)methyl]-5-oxopiperazine-2-carboxamide
CID 107434749

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-5-oxopiperazine-2-carboxamide (CID 107437406) is N-[(1-methylpyrazol-3-yl)methyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]-5-oxopiperazine-2-carboxamide is Cn1ccc(CNC(=O)C2CNC(=O)CN2)n1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is QJFHYQALMDBQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-15-3-2-7(14-15)4-13-10(17)8-5-12-9(16)6-11-8/h2-3,8,11H,4-6H2,1H3,(H,12,16)(H,13,17).
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]-5-oxopiperazine-2-carboxamide?
N-[(1-methylpyrazol-3-yl)methyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107437406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).