N-(furan-2-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide

C11H13N3O2 — CID 19279647

IUPACN-(furan-2-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccco2)nn1C
InChIInChI=1S/C11H13N3O2/c1-8-6-10(13-14(8)2)11(15)12-7-9-4-3-5-16-9/h3-6H,7H2,1-2H3,(H,12,15)
InChIKeyRCQDUTYPEVNZTK-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.25
Rot. Bonds3

About N-(furan-2-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide

N-(furan-2-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 19279647) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID19279647
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(furan-2-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccco2)nn1C
InChIInChI=1S/C11H13N3O2/c1-8-6-10(13-14(8)2)11(15)12-7-9-4-3-5-16-9/h3-6H,7H2,1-2H3,(H,12,15)
InChIKeyRCQDUTYPEVNZTK-UHFFFAOYSA-N
XLogP1.25
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide (CID 19279647) is N-(furan-2-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCc2ccco2)nn1C.
What is the InChIKey of N-(furan-2-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is RCQDUTYPEVNZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8-6-10(13-14(8)2)11(15)12-7-9-4-3-5-16-9/h3-6H,7H2,1-2H3,(H,12,15).
What are the key properties of N-(furan-2-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide?
N-(furan-2-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19279647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).