N-(5-methyl-1H-pyrazol-3-yl)-5-oxopiperazine-2-carboxamide

C9H13N5O2 — CID 107436577

IUPACN-(5-methyl-1H-pyrazol-3-yl)-5-oxopiperazine-2-carboxamide
SMILESCc1cc(NC(=O)C2CNC(=O)CN2)n[nH]1
InChIInChI=1S/C9H13N5O2/c1-5-2-7(14-13-5)12-9(16)6-3-11-8(15)4-10-6/h2,6,10H,3-4H2,1H3,(H,11,15)(H2,12,13,14,16)
InChIKeyJBSDCPJLJZCZOT-UHFFFAOYSA-N
MW223.24 g/mol
LogP-1.26
Rot. Bonds2

About N-(5-methyl-1H-pyrazol-3-yl)-5-oxopiperazine-2-carboxamide

N-(5-methyl-1H-pyrazol-3-yl)-5-oxopiperazine-2-carboxamide (PubChem CID 107436577) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-5-oxopiperazine-2-carboxamide
PubChem CID107436577
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-5-oxopiperazine-2-carboxamide
SMILESCc1cc(NC(=O)C2CNC(=O)CN2)n[nH]1
InChIInChI=1S/C9H13N5O2/c1-5-2-7(14-13-5)12-9(16)6-3-11-8(15)4-10-6/h2,6,10H,3-4H2,1H3,(H,11,15)(H2,12,13,14,16)
InChIKeyJBSDCPJLJZCZOT-UHFFFAOYSA-N
XLogP-1.26
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide
CID 107437746
N-(5-methyl-1,2-oxazol-3-yl)-5-oxopiperazine-2-carboxamide
CID 107433364
N-(4-methyl-1H-pyrazol-5-yl)-5-oxopiperazine-2-carboxamide
CID 107437536
N-(1-methylpyrazol-3-yl)-5-oxopiperazine-2-carboxamide
CID 107434741
N-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide
CID 107437364
5-oxo-N-(1,3-thiazol-2-yl)piperazine-2-carboxamide
CID 107433315
N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 65022914
N-(2-hydroxy-5-methylsulfonylphenyl)-5-oxopiperazine-2-carboxamide
CID 107437267
N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434896
N-[4-methyl-3-(trifluoromethyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107436129
N-(4-hydroxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434569
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-5-oxopiperazine-2-carboxamide (CID 107436577) is N-(5-methyl-1H-pyrazol-3-yl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-5-oxopiperazine-2-carboxamide is Cc1cc(NC(=O)C2CNC(=O)CN2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-5-oxopiperazine-2-carboxamide?
The InChIKey is JBSDCPJLJZCZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-5-2-7(14-13-5)12-9(16)6-3-11-8(15)4-10-6/h2,6,10H,3-4H2,1H3,(H,11,15)(H2,12,13,14,16).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-5-oxopiperazine-2-carboxamide?
N-(5-methyl-1H-pyrazol-3-yl)-5-oxopiperazine-2-carboxamide has a molecular weight of 223.24 g/mol, XLogP of -1.26, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107436577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).