N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide

C18H16FN3O — CID 94048318

IUPACN-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccc(F)c2)cnn1-c1ccccc1
InChIInChI=1S/C18H16FN3O/c1-13-17(12-21-22(13)16-8-3-2-4-9-16)18(23)20-11-14-6-5-7-15(19)10-14/h2-10,12H,11H2,1H3,(H,20,23)
InChIKeyBSKIBUPRZBLAKP-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.25
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide

N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 94048318) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID94048318
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccc(F)c2)cnn1-c1ccccc1
InChIInChI=1S/C18H16FN3O/c1-13-17(12-21-22(13)16-8-3-2-4-9-16)18(23)20-11-14-6-5-7-15(19)10-14/h2-10,12H,11H2,1H3,(H,20,23)
InChIKeyBSKIBUPRZBLAKP-UHFFFAOYSA-N
XLogP3.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide (CID 94048318) is N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)NCc2cccc(F)c2)cnn1-c1ccccc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is BSKIBUPRZBLAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-13-17(12-21-22(13)16-8-3-2-4-9-16)18(23)20-11-14-6-5-7-15(19)10-14/h2-10,12H,11H2,1H3,(H,20,23).
What are the key properties of N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 94048318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).