2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide

C8H13N5O2 — CID 60946190

IUPAC2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
SMILESCNC(=O)Cn1cc(NC(=O)CN)cn1
InChIInChI=1S/C8H13N5O2/c1-10-8(15)5-13-4-6(3-11-13)12-7(14)2-9/h3-4H,2,5,9H2,1H3,(H,10,15)(H,12,14)
InChIKeyCGBZRQUYMFXBQB-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.47
Rot. Bonds4

About 2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide

2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide (PubChem CID 60946190) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
PubChem CID60946190
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
SMILESCNC(=O)Cn1cc(NC(=O)CN)cn1
InChIInChI=1S/C8H13N5O2/c1-10-8(15)5-13-4-6(3-11-13)12-7(14)2-9/h3-4H,2,5,9H2,1H3,(H,10,15)(H,12,14)
InChIKeyCGBZRQUYMFXBQB-UHFFFAOYSA-N
XLogP-1.47
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 54863171
2-(azetidin-3-yl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 64609936
3,5-dibromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 103908065
2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide
CID 54866489
N-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide
CID 60932429
2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide
CID 62793607
4-amino-3-hydroxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 107074249
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylpropanamide
CID 62211260
2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide
CID 81082805
2-bromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 47267940
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide
CID 54863112
1-[2-(methylamino)-2-oxoethyl]pyrazole-4-carboxamide
CID 130605298

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide (CID 60946190) is 2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide is CNC(=O)Cn1cc(NC(=O)CN)cn1.
What is the InChIKey of 2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide?
The InChIKey is CGBZRQUYMFXBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-10-8(15)5-13-4-6(3-11-13)12-7(14)2-9/h3-4H,2,5,9H2,1H3,(H,10,15)(H,12,14).
What are the key properties of 2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide?
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide has a molecular weight of 211.22 g/mol, XLogP of -1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 60946190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).