N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide

C23H18FN3O2 — CID 42754604

IUPACN-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C23H18FN3O2/c1-29-18-13-11-17(12-14-18)27-22(15-21(26-27)16-7-3-2-4-8-16)23(28)25-20-10-6-5-9-19(20)24/h2-15H,1H3,(H,25,28)
InChIKeyAWPXFTSZXQUNAN-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.94
Rot. Bonds5

About N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide

N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide (PubChem CID 42754604) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide
PubChem CID42754604
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC NameN-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C23H18FN3O2/c1-29-18-13-11-17(12-14-18)27-22(15-21(26-27)16-7-3-2-4-8-16)23(28)25-20-10-6-5-9-19(20)24/h2-15H,1H3,(H,25,28)
InChIKeyAWPXFTSZXQUNAN-UHFFFAOYSA-N
XLogP4.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
N-(2-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758735
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42755174
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373118
1-(4-methoxyphenyl)-3-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 42754625
N-[(2R)-butan-2-yl]-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 7412332
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812015
3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 10859327
N-(1,2-diphenylethyl)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 4273385
3-(2-fluorophenyl)-1-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 42754820
N-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3359659

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide (CID 42754604) is N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide is COc1ccc(-n2nc(-c3ccccc3)cc2C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide?
The InChIKey is AWPXFTSZXQUNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-29-18-13-11-17(12-14-18)27-22(15-21(26-27)16-7-3-2-4-8-16)23(28)25-20-10-6-5-9-19(20)24/h2-15H,1H3,(H,25,28).
What are the key properties of N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide?
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 42754604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).