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

C13H12ClFN4O2 — CID 134710621

IUPAC2-chloro-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
SMILESCNC(=O)Cn1cc(NC(=O)c2ccc(F)cc2Cl)cn1
InChIInChI=1S/C13H12ClFN4O2/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,7H2,1H3,(H,16,20)(H,18,21)
InChIKeyLPQWSRDFWGBRMV-UHFFFAOYSA-N
MW310.72 g/mol
LogP1.67
Rot. Bonds4

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

2-chloro-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide (PubChem CID 134710621) has the molecular formula C13H12ClFN4O2 and a molecular weight of 310.72 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
PubChem CID134710621
Molecular FormulaC13H12ClFN4O2
Molecular Weight310.72 g/mol
Exact Mass310.06
IUPAC Name2-chloro-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
SMILESCNC(=O)Cn1cc(NC(=O)c2ccc(F)cc2Cl)cn1
InChIInChI=1S/C13H12ClFN4O2/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,7H2,1H3,(H,16,20)(H,18,21)
InChIKeyLPQWSRDFWGBRMV-UHFFFAOYSA-N
XLogP1.67
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.72
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 60932817
4-amino-2-chloro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 61103330
4-chloro-6-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyridine-3-carboxamide
CID 81228976
N-(1-benzylpyrazol-4-yl)-5-[(2-chloro-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 55948739
2-bromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 47267940
3-bromo-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 103706946
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-4-fluorobenzamide
CID 90622648
2-[4-[(2,4-difluorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931443
2,5-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 4125276
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19336125
2-(2,4-difluorophenoxy)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]propanamide
CID 134701485
1-[(2,6-dichlorophenyl)methyl]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-oxopyridine-3-carboxamide
CID 134697674

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide (CID 134710621) is 2-chloro-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide is CNC(=O)Cn1cc(NC(=O)c2ccc(F)cc2Cl)cn1.
What is the InChIKey of 2-chloro-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide?
The InChIKey is LPQWSRDFWGBRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN4O2/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,7H2,1H3,(H,16,20)(H,18,21).
What are the key properties of 2-chloro-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide?
2-chloro-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide has a molecular weight of 310.72 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134710621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).