2-(4-bromophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide

C16H18BrN3O — CID 51101717

IUPAC2-(4-bromophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide
SMILESCC(Cn1cccn1)NC(=O)C1CC1c1ccc(Br)cc1
InChIInChI=1S/C16H18BrN3O/c1-11(10-20-8-2-7-18-20)19-16(21)15-9-14(15)12-3-5-13(17)6-4-12/h2-8,11,14-15H,9-10H2,1H3,(H,19,21)
InChIKeySRJDGXCVSLOJAL-UHFFFAOYSA-N
MW348.24 g/mol
LogP2.95
Rot. Bonds5

About 2-(4-bromophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide

2-(4-bromophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide (PubChem CID 51101717) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide
PubChem CID51101717
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name2-(4-bromophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide
SMILESCC(Cn1cccn1)NC(=O)C1CC1c1ccc(Br)cc1
InChIInChI=1S/C16H18BrN3O/c1-11(10-20-8-2-7-18-20)19-16(21)15-9-14(15)12-3-5-13(17)6-4-12/h2-8,11,14-15H,9-10H2,1H3,(H,19,21)
InChIKeySRJDGXCVSLOJAL-UHFFFAOYSA-N
XLogP2.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide (CID 51101717) is 2-(4-bromophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide is CC(Cn1cccn1)NC(=O)C1CC1c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is SRJDGXCVSLOJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-11(10-20-8-2-7-18-20)19-16(21)15-9-14(15)12-3-5-13(17)6-4-12/h2-8,11,14-15H,9-10H2,1H3,(H,19,21).
What are the key properties of 2-(4-bromophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide?
2-(4-bromophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 51101717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).