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

C12H13N5O2 — CID 43705831

IUPAC4-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzamide
SMILESNC(=O)Cn1cc(NC(=O)c2ccc(N)cc2)cn1
InChIInChI=1S/C12H13N5O2/c13-9-3-1-8(2-4-9)12(19)16-10-5-15-17(6-10)7-11(14)18/h1-6H,7,13H2,(H2,14,18)(H,16,19)
InChIKeyCJILONRXIBRGGE-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.20
Rot. Bonds4

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

4-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzamide (PubChem CID 43705831) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzamide
PubChem CID43705831
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name4-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzamide
SMILESNC(=O)Cn1cc(NC(=O)c2ccc(N)cc2)cn1
InChIInChI=1S/C12H13N5O2/c13-9-3-1-8(2-4-9)12(19)16-10-5-15-17(6-10)7-11(14)18/h1-6H,7,13H2,(H2,14,18)(H,16,19)
InChIKeyCJILONRXIBRGGE-UHFFFAOYSA-N
XLogP0.20
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(1-ethylpyrazol-4-yl)benzamide
CID 43543193
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 47287779
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-chloropyridine-4-carboxamide
CID 47287788
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 55847896
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-bromo-5-methylbenzamide
CID 104852202
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide
CID 47057481
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-pyridin-4-yloxybenzamide
CID 75371124
2-[4-[(4-methylsulfanylbenzoyl)amino]pyrazol-1-yl]acetic acid
CID 61017597
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-bromo-2-hydroxybenzamide
CID 47466044
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2,5-dichlorothiophene-3-carboxamide
CID 146122700
4-amino-3-hydroxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 107074249
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide
CID 107903728

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 4-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzamide (CID 43705831) is 4-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 4-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzamide is NC(=O)Cn1cc(NC(=O)c2ccc(N)cc2)cn1.
What is the InChIKey of 4-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzamide?
The InChIKey is CJILONRXIBRGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c13-9-3-1-8(2-4-9)12(19)16-10-5-15-17(6-10)7-11(14)18/h1-6H,7,13H2,(H2,14,18)(H,16,19).
What are the key properties of 4-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzamide?
4-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzamide has a molecular weight of 259.27 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 43705831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).