4-[(2,6-difluorobenzoyl)amino]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide

C19H16F2N4O2 — CID 59733435

IUPAC4-[(2,6-difluorobenzoyl)amino]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1[nH]ncc1NC(=O)c1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C19H16F2N4O2/c1-11(12-6-3-2-4-7-12)23-19(27)17-15(10-22-25-17)24-18(26)16-13(20)8-5-9-14(16)21/h2-11H,1H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyJOYFZSSFZOHERO-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.43
Rot. Bonds5

About 4-[(2,6-difluorobenzoyl)amino]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide

4-[(2,6-difluorobenzoyl)amino]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide (PubChem CID 59733435) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is 4-[(2,6-difluorobenzoyl)amino]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,6-difluorobenzoyl)amino]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
PubChem CID59733435
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name4-[(2,6-difluorobenzoyl)amino]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1[nH]ncc1NC(=O)c1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C19H16F2N4O2/c1-11(12-6-3-2-4-7-12)23-19(27)17-15(10-22-25-17)24-18(26)16-13(20)8-5-9-14(16)21/h2-11H,1H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyJOYFZSSFZOHERO-UHFFFAOYSA-N
XLogP3.43
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,6-difluorobenzoyl)amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 24864079
4-chloro-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 17026858
4-[(2,6-difluorobenzoyl)amino]-N-(2-propylpentyl)-1H-pyrazole-5-carboxamide
CID 70304735
ethyl 4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylate
CID 59733474
2-bromo-6-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 103733626
4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 58696395
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[(4S)-1-hydroxyheptan-4-yl]-1H-pyrazole-5-carboxamide
CID 118297463
4-[(2,6-difluorobenzoyl)amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 59733467
4-[(2,6-difluorobenzoyl)amino]-N-(piperidin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 59733368
2,6-difluoro-N-[5-(4-iodophenyl)-1H-pyrazol-4-yl]benzamide
CID 66770779
N-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 162658849
4-[(2,4-difluorobenzoyl)amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
CID 69378981

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorobenzoyl)amino]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2,6-difluorobenzoyl)amino]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide (CID 59733435) is 4-[(2,6-difluorobenzoyl)amino]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,6-difluorobenzoyl)amino]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,6-difluorobenzoyl)amino]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide is CC(NC(=O)c1[nH]ncc1NC(=O)c1c(F)cccc1F)c1ccccc1.
What is the InChIKey of 4-[(2,6-difluorobenzoyl)amino]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is JOYFZSSFZOHERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c1-11(12-6-3-2-4-7-12)23-19(27)17-15(10-22-25-17)24-18(26)16-13(20)8-5-9-14(16)21/h2-11H,1H3,(H,22,25)(H,23,27)(H,24,26).
What are the key properties of 4-[(2,6-difluorobenzoyl)amino]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide?
4-[(2,6-difluorobenzoyl)amino]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorobenzoyl)amino]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59733435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).