1-(4-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide

C15H16BrN3O — CID 115609339

IUPAC1-(4-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide
SMILESCCc1cc(NC(=O)C2(c3ccc(Br)cc3)CC2)n[nH]1
InChIInChI=1S/C15H16BrN3O/c1-2-12-9-13(19-18-12)17-14(20)15(7-8-15)10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3,(H2,17,18,19,20)
InChIKeyFQNIYEZYFUAGAI-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.40
Rot. Bonds4

About 1-(4-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide

1-(4-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 115609339) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide
PubChem CID115609339
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name1-(4-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide
SMILESCCc1cc(NC(=O)C2(c3ccc(Br)cc3)CC2)n[nH]1
InChIInChI=1S/C15H16BrN3O/c1-2-12-9-13(19-18-12)17-14(20)15(7-8-15)10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3,(H2,17,18,19,20)
InChIKeyFQNIYEZYFUAGAI-UHFFFAOYSA-N
XLogP3.40
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64527087
N-(5-ethyl-1H-pyrazol-3-yl)-1-methylcyclopentane-1-carboxamide
CID 104619647
N-(5-ethyl-1H-pyrazol-3-yl)-4-methylpiperidine-4-carboxamide
CID 104618097
2-cyclopentyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 115593738
2-(2,3-dihydro-1H-inden-5-yl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 115593756
3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64526668
4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide
CID 112689151
3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423213
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-methoxyethoxy)acetamide
CID 104619698
1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 166234540
5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 47423228

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide (CID 115609339) is 1-(4-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide is CCc1cc(NC(=O)C2(c3ccc(Br)cc3)CC2)n[nH]1.
What is the InChIKey of 1-(4-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is FQNIYEZYFUAGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-2-12-9-13(19-18-12)17-14(20)15(7-8-15)10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3,(H2,17,18,19,20).
What are the key properties of 1-(4-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115609339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).