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

C17H14N6O2 — CID 166221266

IUPAC3-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCn1cc(NC(=O)c2cc(-c3ccoc3)n[nH]2)c(-c2ccccn2)n1
InChIInChI=1S/C17H14N6O2/c1-23-9-15(16(22-23)12-4-2-3-6-18-12)19-17(24)14-8-13(20-21-14)11-5-7-25-10-11/h2-10H,1H3,(H,19,24)(H,20,21)
InChIKeyPDNNVGVRALRQPH-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.72
Rot. Bonds4

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

3-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 166221266) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 3-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID166221266
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name3-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCn1cc(NC(=O)c2cc(-c3ccoc3)n[nH]2)c(-c2ccccn2)n1
InChIInChI=1S/C17H14N6O2/c1-23-9-15(16(22-23)12-4-2-3-6-18-12)19-17(24)14-8-13(20-21-14)11-5-7-25-10-11/h2-10H,1H3,(H,19,24)(H,20,21)
InChIKeyPDNNVGVRALRQPH-UHFFFAOYSA-N
XLogP2.72
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 166221266) is 3-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cn1cc(NC(=O)c2cc(-c3ccoc3)n[nH]2)c(-c2ccccn2)n1.
What is the InChIKey of 3-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is PDNNVGVRALRQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-23-9-15(16(22-23)12-4-2-3-6-18-12)19-17(24)14-8-13(20-21-14)11-5-7-25-10-11/h2-10H,1H3,(H,19,24)(H,20,21).
What are the key properties of 3-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
3-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166221266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).