N-cyclohexyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]prop-2-enamide

C18H23N3O2 — CID 154880741

IUPACN-cyclohexyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1cc(-c2ccco2)n(C)n1)C1CCCCC1
InChIInChI=1S/C18H23N3O2/c1-3-18(22)21(15-8-5-4-6-9-15)13-14-12-16(20(2)19-14)17-10-7-11-23-17/h3,7,10-12,15H,1,4-6,8-9,13H2,2H3
InChIKeyOTBAAQDUZZBZGG-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.53
Rot. Bonds5

About N-cyclohexyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]prop-2-enamide

N-cyclohexyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]prop-2-enamide (PubChem CID 154880741) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-cyclohexyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]prop-2-enamide
PubChem CID154880741
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-cyclohexyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1cc(-c2ccco2)n(C)n1)C1CCCCC1
InChIInChI=1S/C18H23N3O2/c1-3-18(22)21(15-8-5-4-6-9-15)13-14-12-16(20(2)19-14)17-10-7-11-23-17/h3,7,10-12,15H,1,4-6,8-9,13H2,2H3
InChIKeyOTBAAQDUZZBZGG-UHFFFAOYSA-N
XLogP3.53
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]prop-2-enamide?
The IUPAC name of N-cyclohexyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]prop-2-enamide (CID 154880741) is N-cyclohexyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-cyclohexyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]prop-2-enamide?
The canonical SMILES for N-cyclohexyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]prop-2-enamide is C=CC(=O)N(Cc1cc(-c2ccco2)n(C)n1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]prop-2-enamide?
The InChIKey is OTBAAQDUZZBZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-18(22)21(15-8-5-4-6-9-15)13-14-12-16(20(2)19-14)17-10-7-11-23-17/h3,7,10-12,15H,1,4-6,8-9,13H2,2H3.
What are the key properties of N-cyclohexyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]prop-2-enamide?
N-cyclohexyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]prop-2-enamide has a molecular weight of 313.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]prop-2-enamide is sourced from PubChem (CID 154880741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).