N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]furan-2-carboxamide

C12H15N3O2 — CID 6499777

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]furan-2-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2ccco2)n1
InChIInChI=1S/C12H15N3O2/c1-9-8-10(2)15(14-9)6-5-13-12(16)11-4-3-7-17-11/h3-4,7-8H,5-6H2,1-2H3,(H,13,16)
InChIKeySJDSREVWUIZJFT-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.52
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]furan-2-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]furan-2-carboxamide (PubChem CID 6499777) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]furan-2-carboxamide
PubChem CID6499777
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]furan-2-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2ccco2)n1
InChIInChI=1S/C12H15N3O2/c1-9-8-10(2)15(14-9)6-5-13-12(16)11-4-3-7-17-11/h3-4,7-8H,5-6H2,1-2H3,(H,13,16)
InChIKeySJDSREVWUIZJFT-UHFFFAOYSA-N
XLogP1.52
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]furan-2-carboxamide (CID 6499777) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]furan-2-carboxamide is Cc1cc(C)n(CCNC(=O)c2ccco2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]furan-2-carboxamide?
The InChIKey is SJDSREVWUIZJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9-8-10(2)15(14-9)6-5-13-12(16)11-4-3-7-17-11/h3-4,7-8H,5-6H2,1-2H3,(H,13,16).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]furan-2-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]furan-2-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 6499777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).