3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide

C15H13N3O2 — CID 2412347

IUPAC3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(N)=O)o1
InChIInChI=1S/C15H13N3O2/c1-10-7-8-13(20-10)14-12(15(16)19)9-18(17-14)11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,19)
InChIKeyITSKPLFAMKWFQZ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.54
Rot. Bonds3

About 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide

3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 2412347) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID2412347
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(N)=O)o1
InChIInChI=1S/C15H13N3O2/c1-10-7-8-13(20-10)14-12(15(16)19)9-18(17-14)11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,19)
InChIKeyITSKPLFAMKWFQZ-UHFFFAOYSA-N
XLogP2.54
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide (CID 2412347) is 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2C(N)=O)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is ITSKPLFAMKWFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-7-8-13(20-10)14-12(15(16)19)9-18(17-14)11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,19).
What are the key properties of 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2412347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).