4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-cyclopropylbenzamide

C22H21FN4O2 — CID 46334938

IUPAC4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-cyclopropylbenzamide
SMILESCC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C22H21FN4O2/c1-13-20(15-3-7-17(23)8-4-15)21(24-14(2)28)27(26-13)19-11-5-16(6-12-19)22(29)25-18-9-10-18/h3-8,11-12,18H,9-10H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyZPAATSSBPHTIFK-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.84
Rot. Bonds5

About 4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-cyclopropylbenzamide

4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-cyclopropylbenzamide (PubChem CID 46334938) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-cyclopropylbenzamide
PubChem CID46334938
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-cyclopropylbenzamide
SMILESCC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C22H21FN4O2/c1-13-20(15-3-7-17(23)8-4-15)21(24-14(2)28)27(26-13)19-11-5-16(6-12-19)22(29)25-18-9-10-18/h3-8,11-12,18H,9-10H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyZPAATSSBPHTIFK-UHFFFAOYSA-N
XLogP3.84
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-(3-methylphenyl)benzamide
CID 46334959
N-[1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide
CID 46334948
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92873032
4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-propan-2-ylbenzamide
CID 46334908
4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-phenylbenzamide
CID 46334913
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-pyridin-2-ylbenzamide
CID 46334892
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 20934582
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-benzylbenzamide
CID 46334888
4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-[(2S)-butan-2-yl]benzamide
CID 92873034
N-(4-aminocyclohexyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119477007
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)benzamide
CID 46334859
4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(4-hydroxycyclohexyl)benzamide
CID 122563847

Frequently Asked Questions

What is the IUPAC name of 4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-cyclopropylbenzamide (CID 46334938) is 4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-cyclopropylbenzamide is CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of 4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-cyclopropylbenzamide?
The InChIKey is ZPAATSSBPHTIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-13-20(15-3-7-17(23)8-4-15)21(24-14(2)28)27(26-13)19-11-5-16(6-12-19)22(29)25-18-9-10-18/h3-8,11-12,18H,9-10H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-cyclopropylbenzamide?
4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-cyclopropylbenzamide has a molecular weight of 392.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 46334938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).