N-(4-cyano-1-methylpyrazol-5-yl)-2-methylfuran-3-carboxamide

C11H10N4O2 — CID 113220542

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1c(C#N)cnn1C
InChIInChI=1S/C11H10N4O2/c1-7-9(3-4-17-7)11(16)14-10-8(5-12)6-13-15(10)2/h3-4,6H,1-2H3,(H,14,16)
InChIKeyXSNLVGFKSRACNA-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.45
Rot. Bonds2

About N-(4-cyano-1-methylpyrazol-5-yl)-2-methylfuran-3-carboxamide

N-(4-cyano-1-methylpyrazol-5-yl)-2-methylfuran-3-carboxamide (PubChem CID 113220542) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-2-methylfuran-3-carboxamide
PubChem CID113220542
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1c(C#N)cnn1C
InChIInChI=1S/C11H10N4O2/c1-7-9(3-4-17-7)11(16)14-10-8(5-12)6-13-15(10)2/h3-4,6H,1-2H3,(H,14,16)
InChIKeyXSNLVGFKSRACNA-UHFFFAOYSA-N
XLogP1.45
TPSA83.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-methylfuran-3-carboxamide (CID 113220542) is N-(4-cyano-1-methylpyrazol-5-yl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1c(C#N)cnn1C.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-2-methylfuran-3-carboxamide?
The InChIKey is XSNLVGFKSRACNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-7-9(3-4-17-7)11(16)14-10-8(5-12)6-13-15(10)2/h3-4,6H,1-2H3,(H,14,16).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-2-methylfuran-3-carboxamide?
N-(4-cyano-1-methylpyrazol-5-yl)-2-methylfuran-3-carboxamide has a molecular weight of 230.23 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 113220542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).