N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

C21H23FN4O — CID 43054134

IUPACN-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCCN(c1ccc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)cc1)C(C)C
InChIInChI=1S/C21H23FN4O/c1-4-26(14(2)3)18-11-9-17(10-12-18)24-21(27)19-13-23-25-20(19)15-5-7-16(22)8-6-15/h5-14H,4H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyUMOWHVWXDRSLQB-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.70
Rot. Bonds6

About N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 43054134) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID43054134
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCCN(c1ccc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)cc1)C(C)C
InChIInChI=1S/C21H23FN4O/c1-4-26(14(2)3)18-11-9-17(10-12-18)24-21(27)19-13-23-25-20(19)15-5-7-16(22)8-6-15/h5-14H,4H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyUMOWHVWXDRSLQB-UHFFFAOYSA-N
XLogP4.70
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 24638552
5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 20950773
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 56568073
5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrazole-4-carboxamide
CID 24620569
5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17487935
5-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)-1H-pyrazole-4-carboxamide
CID 16622153
N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757361
N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 60544335
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 112807637
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 53490374
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-iodo-5-nitrobenzamide
CID 55684577

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (CID 43054134) is N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is CCN(c1ccc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)cc1)C(C)C.
What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is UMOWHVWXDRSLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-4-26(14(2)3)18-11-9-17(10-12-18)24-21(27)19-13-23-25-20(19)15-5-7-16(22)8-6-15/h5-14H,4H2,1-3H3,(H,23,25)(H,24,27).
What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43054134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).