1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide

C16H18BrN3O — CID 37392710

IUPAC1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCn1cccn1)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H18BrN3O/c17-14-5-3-13(4-6-14)16(7-8-16)15(21)18-9-1-11-20-12-2-10-19-20/h2-6,10,12H,1,7-9,11H2,(H,18,21)
InChIKeyVVCBBDGBUZMABR-UHFFFAOYSA-N
MW348.24 g/mol
LogP2.88
Rot. Bonds6

About 1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide

1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide (PubChem CID 37392710) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
PubChem CID37392710
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCn1cccn1)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H18BrN3O/c17-14-5-3-13(4-6-14)16(7-8-16)15(21)18-9-1-11-20-12-2-10-19-20/h2-6,10,12H,1,7-9,11H2,(H,18,21)
InChIKeyVVCBBDGBUZMABR-UHFFFAOYSA-N
XLogP2.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 52.88
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-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide (CID 37392710) is 1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide is O=C(NCCCn1cccn1)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide?
The InChIKey is VVCBBDGBUZMABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c17-14-5-3-13(4-6-14)16(7-8-16)15(21)18-9-1-11-20-12-2-10-19-20/h2-6,10,12H,1,7-9,11H2,(H,18,21).
What are the key properties of 1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 37392710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).