N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-phenylcyclopropane-1-carboxamide

C16H18BrN3O — CID 19323161

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCCn1ncc(Br)c1CNC(=O)C1CC1c1ccccc1
InChIInChI=1S/C16H18BrN3O/c1-2-20-15(14(17)9-19-20)10-18-16(21)13-8-12(13)11-6-4-3-5-7-11/h3-7,9,12-13H,2,8,10H2,1H3,(H,18,21)
InChIKeyQHVRPJOGWMYZDD-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.09
Rot. Bonds5

About N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-phenylcyclopropane-1-carboxamide

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 19323161) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID19323161
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCCn1ncc(Br)c1CNC(=O)C1CC1c1ccccc1
InChIInChI=1S/C16H18BrN3O/c1-2-20-15(14(17)9-19-20)10-18-16(21)13-8-12(13)11-6-4-3-5-7-11/h3-7,9,12-13H,2,8,10H2,1H3,(H,18,21)
InChIKeyQHVRPJOGWMYZDD-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 35521016
trans-(1S,2S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 35521014
N-[(3-bromothiophen-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 78985906
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-phenylcyclopropane-1-carboxamide
CID 19329964
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 19460310
trans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 97314365
N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 86841366
N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide
CID 115594336
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782
N-[[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 21068279
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 19333183
trans-(1R,2R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 86286952

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-phenylcyclopropane-1-carboxamide (CID 19323161) is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-phenylcyclopropane-1-carboxamide is CCn1ncc(Br)c1CNC(=O)C1CC1c1ccccc1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is QHVRPJOGWMYZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-2-20-15(14(17)9-19-20)10-18-16(21)13-8-12(13)11-6-4-3-5-7-11/h3-7,9,12-13H,2,8,10H2,1H3,(H,18,21).
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 19323161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).