N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide

C14H21N3O2 — CID 16925270

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H21N3O2/c1-17-10-12(14(16-17)19-2)13(18)15-9-8-11-6-4-3-5-7-11/h6,10H,3-5,7-9H2,1-2H3,(H,15,18)
InChIKeyAXFVHKOYHHKWLU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.05
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 16925270) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID16925270
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H21N3O2/c1-17-10-12(14(16-17)19-2)13(18)15-9-8-11-6-4-3-5-7-11/h6,10H,3-5,7-9H2,1-2H3,(H,15,18)
InChIKeyAXFVHKOYHHKWLU-UHFFFAOYSA-N
XLogP2.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 16925270) is N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is AXFVHKOYHHKWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17-10-12(14(16-17)19-2)13(18)15-9-8-11-6-4-3-5-7-11/h6,10H,3-5,7-9H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 16925270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).