2-(azetidin-3-yl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide

C11H17N5O2 — CID 64609936

IUPAC2-(azetidin-3-yl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
SMILESCNC(=O)Cn1cc(NC(=O)CC2CNC2)cn1
InChIInChI=1S/C11H17N5O2/c1-12-11(18)7-16-6-9(5-14-16)15-10(17)2-8-3-13-4-8/h5-6,8,13H,2-4,7H2,1H3,(H,12,18)(H,15,17)
InChIKeyPVAJEJGNATVBEK-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.82
Rot. Bonds5

About 2-(azetidin-3-yl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide

2-(azetidin-3-yl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide (PubChem CID 64609936) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
PubChem CID64609936
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name2-(azetidin-3-yl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
SMILESCNC(=O)Cn1cc(NC(=O)CC2CNC2)cn1
InChIInChI=1S/C11H17N5O2/c1-12-11(18)7-16-6-9(5-14-16)15-10(17)2-8-3-13-4-8/h5-6,8,13H,2-4,7H2,1H3,(H,12,18)(H,15,17)
InChIKeyPVAJEJGNATVBEK-UHFFFAOYSA-N
XLogP-0.82
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylpropanamide
CID 62211260
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 60946190
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide
CID 54863112
(3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide
CID 81124070
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylbutanamide
CID 119728762
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-3-ylbutanamide
CID 119728755
N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide
CID 62675763
2-piperidin-3-yl-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 62902855
2-[4-[(4-aminocyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide
CID 79730983
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 119728688
methyl 2-[4-[[2-(thian-4-yl)acetyl]amino]pyrazol-1-yl]acetate
CID 80709747
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 54863171

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide (CID 64609936) is 2-(azetidin-3-yl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide is CNC(=O)Cn1cc(NC(=O)CC2CNC2)cn1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide?
The InChIKey is PVAJEJGNATVBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-12-11(18)7-16-6-9(5-14-16)15-10(17)2-8-3-13-4-8/h5-6,8,13H,2-4,7H2,1H3,(H,12,18)(H,15,17).
What are the key properties of 2-(azetidin-3-yl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide?
2-(azetidin-3-yl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide has a molecular weight of 251.29 g/mol, XLogP of -0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 64609936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).