1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-3-propan-2-ylpyrazole-5-carboxamide

C17H25N3O2 — CID 70726085

IUPAC1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NC(C)CCc1ccco1
InChIInChI=1S/C17H25N3O2/c1-5-20-16(11-15(19-20)12(2)3)17(21)18-13(4)8-9-14-7-6-10-22-14/h6-7,10-13H,5,8-9H2,1-4H3,(H,18,21)
InChIKeyVGIJUACORNTGCA-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.37
Rot. Bonds7

About 1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-3-propan-2-ylpyrazole-5-carboxamide

1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 70726085) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID70726085
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NC(C)CCc1ccco1
InChIInChI=1S/C17H25N3O2/c1-5-20-16(11-15(19-20)12(2)3)17(21)18-13(4)8-9-14-7-6-10-22-14/h6-7,10-13H,5,8-9H2,1-4H3,(H,18,21)
InChIKeyVGIJUACORNTGCA-UHFFFAOYSA-N
XLogP3.37
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]hexanoic acid
CID 82845310
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 18162420
N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide
CID 103956281
1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571916
4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
CID 9141737
3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 61249559
2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide
CID 114326274
ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 176998703
N-[(2S)-4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9141827
N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 94816789
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-3-propan-2-ylpyrazole-5-carboxamide (CID 70726085) is 1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)NC(C)CCc1ccco1.
What is the InChIKey of 1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is VGIJUACORNTGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-5-20-16(11-15(19-20)12(2)3)17(21)18-13(4)8-9-14-7-6-10-22-14/h6-7,10-13H,5,8-9H2,1-4H3,(H,18,21).
What are the key properties of 1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-3-propan-2-ylpyrazole-5-carboxamide?
1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 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]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 70726085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).