5-ethyl-N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]-1-methylpyrazole-3-carboxamide

C15H15FN6O — CID 167843693

IUPAC5-ethyl-N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]-1-methylpyrazole-3-carboxamide
SMILESCCc1cc(C(=O)Nc2cc(-c3ncn[nH]3)ccc2F)nn1C
InChIInChI=1S/C15H15FN6O/c1-3-10-7-13(21-22(10)2)15(23)19-12-6-9(4-5-11(12)16)14-17-8-18-20-14/h4-8H,3H2,1-2H3,(H,19,23)(H,17,18,20)
InChIKeyBBMJIIBGILNKFR-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.16
Rot. Bonds4

About 5-ethyl-N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]-1-methylpyrazole-3-carboxamide

5-ethyl-N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 167843693) has the molecular formula C15H15FN6O and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-ethyl-N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]-1-methylpyrazole-3-carboxamide
PubChem CID167843693
Molecular FormulaC15H15FN6O
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC Name5-ethyl-N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]-1-methylpyrazole-3-carboxamide
SMILESCCc1cc(C(=O)Nc2cc(-c3ncn[nH]3)ccc2F)nn1C
InChIInChI=1S/C15H15FN6O/c1-3-10-7-13(21-22(10)2)15(23)19-12-6-9(4-5-11(12)16)14-17-8-18-20-14/h4-8H,3H2,1-2H3,(H,19,23)(H,17,18,20)
InChIKeyBBMJIIBGILNKFR-UHFFFAOYSA-N
XLogP2.16
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]-1-methylpyrazole-3-carboxamide (CID 167843693) is 5-ethyl-N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]-1-methylpyrazole-3-carboxamide is CCc1cc(C(=O)Nc2cc(-c3ncn[nH]3)ccc2F)nn1C.
What is the InChIKey of 5-ethyl-N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is BBMJIIBGILNKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O/c1-3-10-7-13(21-22(10)2)15(23)19-12-6-9(4-5-11(12)16)14-17-8-18-20-14/h4-8H,3H2,1-2H3,(H,19,23)(H,17,18,20).
What are the key properties of 5-ethyl-N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]-1-methylpyrazole-3-carboxamide?
5-ethyl-N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 167843693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).