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

C13H14ClN5O2 — CID 61103330

IUPAC4-amino-2-chloro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
SMILESCNC(=O)Cn1cc(NC(=O)c2ccc(N)cc2Cl)cn1
InChIInChI=1S/C13H14ClN5O2/c1-16-12(20)7-19-6-9(5-17-19)18-13(21)10-3-2-8(15)4-11(10)14/h2-6H,7,15H2,1H3,(H,16,20)(H,18,21)
InChIKeyUVINLCVPLHAWRT-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.12
Rot. Bonds4

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

4-amino-2-chloro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide (PubChem CID 61103330) has the molecular formula C13H14ClN5O2 and a molecular weight of 307.74 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
PubChem CID61103330
Molecular FormulaC13H14ClN5O2
Molecular Weight307.74 g/mol
Exact Mass307.08
IUPAC Name4-amino-2-chloro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
SMILESCNC(=O)Cn1cc(NC(=O)c2ccc(N)cc2Cl)cn1
InChIInChI=1S/C13H14ClN5O2/c1-16-12(20)7-19-6-9(5-17-19)18-13(21)10-3-2-8(15)4-11(10)14/h2-6H,7,15H2,1H3,(H,16,20)(H,18,21)
InChIKeyUVINLCVPLHAWRT-UHFFFAOYSA-N
XLogP1.12
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.12
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

2-chloro-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 134710621
4-chloro-6-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyridine-3-carboxamide
CID 81228976
2-bromo-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 60932817
2-bromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 47267940
4-amino-3-hydroxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 107074249
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 60946190
1-[(2,6-dichlorophenyl)methyl]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-oxopyridine-3-carboxamide
CID 134697674
3,5-dibromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 103908065
2,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088727
2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide
CID 62793607
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 54863171
4-amino-2-chloro-N-(4-methoxyphenyl)benzamide
CID 16792666

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide?
The IUPAC name of 4-amino-2-chloro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide (CID 61103330) is 4-amino-2-chloro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 4-amino-2-chloro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide is CNC(=O)Cn1cc(NC(=O)c2ccc(N)cc2Cl)cn1.
What is the InChIKey of 4-amino-2-chloro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide?
The InChIKey is UVINLCVPLHAWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O2/c1-16-12(20)7-19-6-9(5-17-19)18-13(21)10-3-2-8(15)4-11(10)14/h2-6H,7,15H2,1H3,(H,16,20)(H,18,21).
What are the key properties of 4-amino-2-chloro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide?
4-amino-2-chloro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide has a molecular weight of 307.74 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 61103330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).