3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide

C18H14F2N4O2 — CID 29097363

IUPAC3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
SMILESCn1nc(C(=O)Nc2cccc(F)c2)cc1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H14F2N4O2/c1-24-16(18(26)22-14-7-3-5-12(20)9-14)10-15(23-24)17(25)21-13-6-2-4-11(19)8-13/h2-10H,1H3,(H,21,25)(H,22,26)
InChIKeyQTRQTBBNFBAEIB-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.20
Rot. Bonds4

About 3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide

3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide (PubChem CID 29097363) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is 3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
PubChem CID29097363
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
SMILESCn1nc(C(=O)Nc2cccc(F)c2)cc1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H14F2N4O2/c1-24-16(18(26)22-14-7-3-5-12(20)9-14)10-15(23-24)17(25)21-13-6-2-4-11(19)8-13/h2-10H,1H3,(H,21,25)(H,22,26)
InChIKeyQTRQTBBNFBAEIB-UHFFFAOYSA-N
XLogP3.20
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097127
N-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide
CID 46104761
N-(3-fluorophenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999140
4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 6467156
1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide
CID 679026
4-chloro-N-(3-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 4615060
4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 39853991
methyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
CID 5303442
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065
5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 42879083
N-(3,5-difluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 163344155
methyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate
CID 3926848

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide (CID 29097363) is 3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide is Cn1nc(C(=O)Nc2cccc(F)c2)cc1C(=O)Nc1cccc(F)c1.
What is the InChIKey of 3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide?
The InChIKey is QTRQTBBNFBAEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c1-24-16(18(26)22-14-7-3-5-12(20)9-14)10-15(23-24)17(25)21-13-6-2-4-11(19)8-13/h2-10H,1H3,(H,21,25)(H,22,26).
What are the key properties of 3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide?
3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide has a molecular weight of 356.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 29097363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).