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

C9H13N5O2 — CID 107434741

IUPACN-(1-methylpyrazol-3-yl)-5-oxopiperazine-2-carboxamide
SMILESCn1ccc(NC(=O)C2CNC(=O)CN2)n1
InChIInChI=1S/C9H13N5O2/c1-14-3-2-7(13-14)12-9(16)6-4-11-8(15)5-10-6/h2-3,6,10H,4-5H2,1H3,(H,11,15)(H,12,13,16)
InChIKeyWDICGWZJJJZXCO-UHFFFAOYSA-N
MW223.24 g/mol
LogP-1.55
Rot. Bonds2

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

N-(1-methylpyrazol-3-yl)-5-oxopiperazine-2-carboxamide (PubChem CID 107434741) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-5-oxopiperazine-2-carboxamide
PubChem CID107434741
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC NameN-(1-methylpyrazol-3-yl)-5-oxopiperazine-2-carboxamide
SMILESCn1ccc(NC(=O)C2CNC(=O)CN2)n1
InChIInChI=1S/C9H13N5O2/c1-14-3-2-7(13-14)12-9(16)6-4-11-8(15)5-10-6/h2-3,6,10H,4-5H2,1H3,(H,11,15)(H,12,13,16)
InChIKeyWDICGWZJJJZXCO-UHFFFAOYSA-N
XLogP-1.55
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylpyrazol-3-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107437406
5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide
CID 107437746
N-(5-methyl-1H-pyrazol-3-yl)-5-oxopiperazine-2-carboxamide
CID 107436577
N-(1-methylpyrazol-3-yl)cyclopropanecarboxamide
CID 19405001
N-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide
CID 107437364
N-(4-hydroxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434569
N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434210
N-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260753
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107437463
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopiperazine-2-carboxamide
CID 107641827
2-(azetidin-3-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 64618955
5-oxo-N-(thiadiazol-5-yl)piperazine-2-carboxamide
CID 107437804

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-5-oxopiperazine-2-carboxamide (CID 107434741) is N-(1-methylpyrazol-3-yl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-5-oxopiperazine-2-carboxamide is Cn1ccc(NC(=O)C2CNC(=O)CN2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-5-oxopiperazine-2-carboxamide?
The InChIKey is WDICGWZJJJZXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-14-3-2-7(13-14)12-9(16)6-4-11-8(15)5-10-6/h2-3,6,10H,4-5H2,1H3,(H,11,15)(H,12,13,16).
What are the key properties of N-(1-methylpyrazol-3-yl)-5-oxopiperazine-2-carboxamide?
N-(1-methylpyrazol-3-yl)-5-oxopiperazine-2-carboxamide has a molecular weight of 223.24 g/mol, XLogP of -1.55, 2 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)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107434741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).