1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-N,3-dimethylpyrazole-4-carboxamide

C16H23N3O2 — CID 19477854

IUPAC1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-N,3-dimethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(C)C(C)CCc2ccco2)c(C)n1
InChIInChI=1S/C16H23N3O2/c1-5-19-11-15(13(3)17-19)16(20)18(4)12(2)8-9-14-7-6-10-21-14/h6-7,10-12H,5,8-9H2,1-4H3
InChIKeyNRUODCILUADGCJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.90
Rot. Bonds6

About 1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-N,3-dimethylpyrazole-4-carboxamide

1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-N,3-dimethylpyrazole-4-carboxamide (PubChem CID 19477854) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-N,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-N,3-dimethylpyrazole-4-carboxamide
PubChem CID19477854
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-N,3-dimethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(C)C(C)CCc2ccco2)c(C)n1
InChIInChI=1S/C16H23N3O2/c1-5-19-11-15(13(3)17-19)16(20)18(4)12(2)8-9-14-7-6-10-21-14/h6-7,10-12H,5,8-9H2,1-4H3
InChIKeyNRUODCILUADGCJ-UHFFFAOYSA-N
XLogP2.90
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-N,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-N,3-dimethylpyrazole-4-carboxamide (CID 19477854) is 1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-N,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-N,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-N,3-dimethylpyrazole-4-carboxamide is CCn1cc(C(=O)N(C)C(C)CCc2ccco2)c(C)n1.
What is the InChIKey of 1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-N,3-dimethylpyrazole-4-carboxamide?
The InChIKey is NRUODCILUADGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-19-11-15(13(3)17-19)16(20)18(4)12(2)8-9-14-7-6-10-21-14/h6-7,10-12H,5,8-9H2,1-4H3.
What are the key properties of 1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-N,3-dimethylpyrazole-4-carboxamide?
1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-N,3-dimethylpyrazole-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-N,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19477854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).