N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide

C12H8F2N6O — CID 71864223

IUPACN-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1n[nH]c(-c2c(F)cccc2F)n1)c1ccn[nH]1
InChIInChI=1S/C12H8F2N6O/c13-6-2-1-3-7(14)9(6)10-16-12(20-19-10)17-11(21)8-4-5-15-18-8/h1-5H,(H,15,18)(H2,16,17,19,20,21)
InChIKeyGSUMKVDQPAMKKV-UHFFFAOYSA-N
MW290.23 g/mol
LogP1.73
Rot. Bonds3

About N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide

N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 71864223) has the molecular formula C12H8F2N6O and a molecular weight of 290.23 g/mol. Its IUPAC name is N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID71864223
Molecular FormulaC12H8F2N6O
Molecular Weight290.23 g/mol
Exact Mass290.07
IUPAC NameN-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1n[nH]c(-c2c(F)cccc2F)n1)c1ccn[nH]1
InChIInChI=1S/C12H8F2N6O/c13-6-2-1-3-7(14)9(6)10-16-12(20-19-10)17-11(21)8-4-5-15-18-8/h1-5H,(H,15,18)(H2,16,17,19,20,21)
InChIKeyGSUMKVDQPAMKKV-UHFFFAOYSA-N
XLogP1.73
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide (CID 71864223) is N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide is O=C(Nc1n[nH]c(-c2c(F)cccc2F)n1)c1ccn[nH]1.
What is the InChIKey of N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is GSUMKVDQPAMKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N6O/c13-6-2-1-3-7(14)9(6)10-16-12(20-19-10)17-11(21)8-4-5-15-18-8/h1-5H,(H,15,18)(H2,16,17,19,20,21).
What are the key properties of N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide?
N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 290.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71864223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).