N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C18H16FN3O3 — CID 45030480

IUPACN-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc(OC)c1
InChIInChI=1S/C18H16FN3O3/c1-24-14-7-13(8-15(9-14)25-2)20-18(23)17-10-16(21-22-17)11-3-5-12(19)6-4-11/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyJTYRQBFNIXTQLF-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.49
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 45030480) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID45030480
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc(OC)c1
InChIInChI=1S/C18H16FN3O3/c1-24-14-7-13(8-15(9-14)25-2)20-18(23)17-10-16(21-22-17)11-3-5-12(19)6-4-11/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyJTYRQBFNIXTQLF-UHFFFAOYSA-N
XLogP3.49
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-N-(3-methoxy-5-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 19514504
N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030497
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030468
3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19508725
3-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19508730
N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 87019112
3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 45030519
methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 718672
N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030503
N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508782
3-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19514461
N-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508699

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 45030480) is N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is COc1cc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is JTYRQBFNIXTQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-24-14-7-13(8-15(9-14)25-2)20-18(23)17-10-16(21-22-17)11-3-5-12(19)6-4-11/h3-10H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 45030480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).