1-(3-methylphenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide

C17H21N3O — CID 56818483

IUPAC1-(3-methylphenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
SMILESCc1cccc(C2(C(=O)NCCCn3cccn3)CC2)c1
InChIInChI=1S/C17H21N3O/c1-14-5-2-6-15(13-14)17(7-8-17)16(21)18-9-3-11-20-12-4-10-19-20/h2,4-6,10,12-13H,3,7-9,11H2,1H3,(H,18,21)
InChIKeyKEZGIPYPGGKNSG-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.43
Rot. Bonds6

About 1-(3-methylphenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide

1-(3-methylphenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide (PubChem CID 56818483) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
PubChem CID56818483
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-(3-methylphenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
SMILESCc1cccc(C2(C(=O)NCCCn3cccn3)CC2)c1
InChIInChI=1S/C17H21N3O/c1-14-5-2-6-15(13-14)17(7-8-17)16(21)18-9-3-11-20-12-4-10-19-20/h2,4-6,10,12-13H,3,7-9,11H2,1H3,(H,18,21)
InChIKeyKEZGIPYPGGKNSG-UHFFFAOYSA-N
XLogP2.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide (CID 56818483) is 1-(3-methylphenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide is Cc1cccc(C2(C(=O)NCCCn3cccn3)CC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide?
The InChIKey is KEZGIPYPGGKNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-14-5-2-6-15(13-14)17(7-8-17)16(21)18-9-3-11-20-12-4-10-19-20/h2,4-6,10,12-13H,3,7-9,11H2,1H3,(H,18,21).
What are the key properties of 1-(3-methylphenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide?
1-(3-methylphenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 56818483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).