N-ethyl-5-(3-fluorophenyl)-N,1-dimethylpyrazole-3-carboxamide

C14H16FN3O — CID 42879090

IUPACN-ethyl-5-(3-fluorophenyl)-N,1-dimethylpyrazole-3-carboxamide
SMILESCCN(C)C(=O)c1cc(-c2cccc(F)c2)n(C)n1
InChIInChI=1S/C14H16FN3O/c1-4-17(2)14(19)12-9-13(18(3)16-12)10-6-5-7-11(15)8-10/h5-9H,4H2,1-3H3
InChIKeyBLAWCGBNYBZYID-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.32
Rot. Bonds3

About N-ethyl-5-(3-fluorophenyl)-N,1-dimethylpyrazole-3-carboxamide

N-ethyl-5-(3-fluorophenyl)-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 42879090) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-ethyl-5-(3-fluorophenyl)-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(3-fluorophenyl)-N,1-dimethylpyrazole-3-carboxamide
PubChem CID42879090
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-ethyl-5-(3-fluorophenyl)-N,1-dimethylpyrazole-3-carboxamide
SMILESCCN(C)C(=O)c1cc(-c2cccc(F)c2)n(C)n1
InChIInChI=1S/C14H16FN3O/c1-4-17(2)14(19)12-9-13(18(3)16-12)10-6-5-7-11(15)8-10/h5-9H,4H2,1-3H3
InChIKeyBLAWCGBNYBZYID-UHFFFAOYSA-N
XLogP2.32
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(3-fluorophenyl)-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-ethyl-5-(3-fluorophenyl)-N,1-dimethylpyrazole-3-carboxamide (CID 42879090) is N-ethyl-5-(3-fluorophenyl)-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-(3-fluorophenyl)-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-(3-fluorophenyl)-N,1-dimethylpyrazole-3-carboxamide is CCN(C)C(=O)c1cc(-c2cccc(F)c2)n(C)n1.
What is the InChIKey of N-ethyl-5-(3-fluorophenyl)-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is BLAWCGBNYBZYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-4-17(2)14(19)12-9-13(18(3)16-12)10-6-5-7-11(15)8-10/h5-9H,4H2,1-3H3.
What are the key properties of N-ethyl-5-(3-fluorophenyl)-N,1-dimethylpyrazole-3-carboxamide?
N-ethyl-5-(3-fluorophenyl)-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(3-fluorophenyl)-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 42879090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).