N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide

C20H21FN4O — CID 56568073

IUPACN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCC(C)N(C)c1ccc(NC(=O)c2cn[nH]c2-c2ccccc2)cc1F
InChIInChI=1S/C20H21FN4O/c1-13(2)25(3)18-10-9-15(11-17(18)21)23-20(26)16-12-22-24-19(16)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,22,24)(H,23,26)
InChIKeyJYGSHYXLPIJWAE-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.31
Rot. Bonds5

About N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide

N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 56568073) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID56568073
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC NameN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCC(C)N(C)c1ccc(NC(=O)c2cn[nH]c2-c2ccccc2)cc1F
InChIInChI=1S/C20H21FN4O/c1-13(2)25(3)18-10-9-15(11-17(18)21)23-20(26)16-12-22-24-19(16)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,22,24)(H,23,26)
InChIKeyJYGSHYXLPIJWAE-UHFFFAOYSA-N
XLogP4.31
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-iodothiophene-3-carboxamide
CID 79691661
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 71893214
N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43054134
N-(5-methyl-1H-pyrazol-3-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 63819414
5-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17411393
5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17487935
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 37040728
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 56826928
ethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate
CID 61063654
N-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 120830450
5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide
CID 17434880
N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 70737970

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide (CID 56568073) is N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide is CC(C)N(C)c1ccc(NC(=O)c2cn[nH]c2-c2ccccc2)cc1F.
What is the InChIKey of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is JYGSHYXLPIJWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-13(2)25(3)18-10-9-15(11-17(18)21)23-20(26)16-12-22-24-19(16)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,22,24)(H,23,26).
What are the key properties of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide?
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 56568073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).