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

C15H23N3O — CID 37201814

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCCC2=CCCCC2)n[nH]1
InChIInChI=1S/C15H23N3O/c1-2-6-13-11-14(18-17-13)15(19)16-10-9-12-7-4-3-5-8-12/h7,11H,2-6,8-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyNCQAFIQRQFJGKY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.98
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 37201814) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID37201814
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCCC2=CCCCC2)n[nH]1
InChIInChI=1S/C15H23N3O/c1-2-6-13-11-14(18-17-13)15(19)16-10-9-12-7-4-3-5-8-12/h7,11H,2-6,8-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyNCQAFIQRQFJGKY-UHFFFAOYSA-N
XLogP2.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 37201814) is N-[2-(cyclohexen-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)NCCC2=CCCCC2)n[nH]1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is NCQAFIQRQFJGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-6-13-11-14(18-17-13)15(19)16-10-9-12-7-4-3-5-8-12/h7,11H,2-6,8-10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 37201814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).