5-(furan-2-yl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1H-pyrazole-3-carboxamide

C16H13N7O2 — CID 121198009

IUPAC5-(furan-2-yl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1cn(-c2cccnc2)nn1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H13N7O2/c24-16(14-7-13(20-21-14)15-4-2-6-25-15)18-8-11-10-23(22-19-11)12-3-1-5-17-9-12/h1-7,9-10H,8H2,(H,18,24)(H,20,21)
InChIKeyHCJHWEZUAWATET-UHFFFAOYSA-N
MW335.33 g/mol
LogP1.58
Rot. Bonds5

About 5-(furan-2-yl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 121198009) has the molecular formula C16H13N7O2 and a molecular weight of 335.33 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID121198009
Molecular FormulaC16H13N7O2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name5-(furan-2-yl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1cn(-c2cccnc2)nn1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H13N7O2/c24-16(14-7-13(20-21-14)15-4-2-6-25-15)18-8-11-10-23(22-19-11)12-3-1-5-17-9-12/h1-7,9-10H,8H2,(H,18,24)(H,20,21)
InChIKeyHCJHWEZUAWATET-UHFFFAOYSA-N
XLogP1.58
TPSA114.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyclopropyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 121197885
5-(furan-2-yl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 35555970
4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
CID 121197820
N-[(1-pyridin-3-yltriazol-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 121198065
2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
CID 121197982
1-ethyl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198126
N-[(1-ethylpyrazol-4-yl)methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513881
1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198111
5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
CID 78854308
5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 110908938
N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide
CID 121198002
5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1H-pyrazole-3-carboxamide (CID 121198009) is 5-(furan-2-yl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1H-pyrazole-3-carboxamide is O=C(NCc1cn(-c2cccnc2)nn1)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is HCJHWEZUAWATET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O2/c24-16(14-7-13(20-21-14)15-4-2-6-25-15)18-8-11-10-23(22-19-11)12-3-1-5-17-9-12/h1-7,9-10H,8H2,(H,18,24)(H,20,21).
What are the key properties of 5-(furan-2-yl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 335.33 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 121198009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).