2-(furan-2-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]azepane-1-carboxamide

C17H24N4O2 — CID 71868116

IUPAC2-(furan-2-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]azepane-1-carboxamide
SMILESCC(NC(=O)N1CCCCCC1c1ccco1)c1cnn(C)c1
InChIInChI=1S/C17H24N4O2/c1-13(14-11-18-20(2)12-14)19-17(22)21-9-5-3-4-7-15(21)16-8-6-10-23-16/h6,8,10-13,15H,3-5,7,9H2,1-2H3,(H,19,22)
InChIKeyJRIVSINMFBCHPH-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.40
Rot. Bonds3

About 2-(furan-2-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]azepane-1-carboxamide

2-(furan-2-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]azepane-1-carboxamide (PubChem CID 71868116) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]azepane-1-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]azepane-1-carboxamide
PubChem CID71868116
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name2-(furan-2-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]azepane-1-carboxamide
SMILESCC(NC(=O)N1CCCCCC1c1ccco1)c1cnn(C)c1
InChIInChI=1S/C17H24N4O2/c1-13(14-11-18-20(2)12-14)19-17(22)21-9-5-3-4-7-15(21)16-8-6-10-23-16/h6,8,10-13,15H,3-5,7,9H2,1-2H3,(H,19,22)
InChIKeyJRIVSINMFBCHPH-UHFFFAOYSA-N
XLogP3.40
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-methylpropyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 97080755
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 35276451
(2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 111507028
(2R)-N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(furan-2-yl)azepane-1-carboxamide
CID 100665143
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
CID 95728453
(2S)-2-(furan-2-yl)-N-[(8R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]azepane-1-carboxamide
CID 96563066
N-[1-(1-methylpyrazol-4-yl)ethyl]-3-pyrrolidin-1-ylazepane-1-carboxamide
CID 75375373
1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 35276366
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95352222
(6-chloropyrazin-2-yl)-[2-(furan-2-yl)azepan-1-yl]methanone
CID 102562615
tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate
CID 124500862

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]azepane-1-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]azepane-1-carboxamide (CID 71868116) is 2-(furan-2-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]azepane-1-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]azepane-1-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]azepane-1-carboxamide is CC(NC(=O)N1CCCCCC1c1ccco1)c1cnn(C)c1.
What is the InChIKey of 2-(furan-2-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]azepane-1-carboxamide?
The InChIKey is JRIVSINMFBCHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(14-11-18-20(2)12-14)19-17(22)21-9-5-3-4-7-15(21)16-8-6-10-23-16/h6,8,10-13,15H,3-5,7,9H2,1-2H3,(H,19,22).
What are the key properties of 2-(furan-2-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]azepane-1-carboxamide?
2-(furan-2-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]azepane-1-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]azepane-1-carboxamide is sourced from PubChem (CID 71868116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).