N-[2-(cyclohexen-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C16H19N3O2 — CID 6624963

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H19N3O2/c20-16(17-9-8-12-5-2-1-3-6-12)14-11-13(18-19-14)15-7-4-10-21-15/h4-5,7,10-11H,1-3,6,8-9H2,(H,17,20)(H,18,19)
InChIKeyYGEBEQPXXLXNSA-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.29
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 6624963) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID6624963
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H19N3O2/c20-16(17-9-8-12-5-2-1-3-6-12)14-11-13(18-19-14)15-7-4-10-21-15/h4-5,7,10-11H,1-3,6,8-9H2,(H,17,20)(H,18,19)
InChIKeyYGEBEQPXXLXNSA-UHFFFAOYSA-N
XLogP3.29
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 6624963) is N-[2-(cyclohexen-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is O=C(NCCC1=CCCCC1)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is YGEBEQPXXLXNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16(17-9-8-12-5-2-1-3-6-12)14-11-13(18-19-14)15-7-4-10-21-15/h4-5,7,10-11H,1-3,6,8-9H2,(H,17,20)(H,18,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6624963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).