2-(3-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide

C18H15BrN4O — CID 49159097

IUPAC2-(3-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)nc1)C1CC1c1cccc(Br)c1
InChIInChI=1S/C18H15BrN4O/c19-13-4-1-3-12(9-13)15-10-16(15)18(24)22-14-5-6-17(20-11-14)23-8-2-7-21-23/h1-9,11,15-16H,10H2,(H,22,24)
InChIKeyVWRREHLMJYVKDP-UHFFFAOYSA-N
MW383.25 g/mol
LogP3.77
Rot. Bonds4

About 2-(3-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide

2-(3-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 49159097) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide
PubChem CID49159097
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC Name2-(3-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)nc1)C1CC1c1cccc(Br)c1
InChIInChI=1S/C18H15BrN4O/c19-13-4-1-3-12(9-13)15-10-16(15)18(24)22-14-5-6-17(20-11-14)23-8-2-7-21-23/h1-9,11,15-16H,10H2,(H,22,24)
InChIKeyVWRREHLMJYVKDP-UHFFFAOYSA-N
XLogP3.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-(4-pyrazol-1-ylphenyl)cyclopropane-1-carboxamide
CID 45154230
sodium 3-[(6-pyrazol-1-yl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylate
CID 166228956
2-(3-bromophenyl)-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 49158091
trans-(1R,2R)-2-(4-bromophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 97011933
cis-(1R,2S)-2-(3-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide
CID 94810696
4-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopent-2-ene-1-carboxamide
CID 79210458
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
4-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide
CID 60849056
trans-(1R,2R)-2-(3-bromophenyl)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 99637733
N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 43426246
3-(4-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 46554089
2-bromo-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-4-carboxamide
CID 103754177

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide (CID 49159097) is 2-(3-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(-n2cccn2)nc1)C1CC1c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is VWRREHLMJYVKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c19-13-4-1-3-12(9-13)15-10-16(15)18(24)22-14-5-6-17(20-11-14)23-8-2-7-21-23/h1-9,11,15-16H,10H2,(H,22,24).
What are the key properties of 2-(3-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide?
2-(3-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 383.25 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 49159097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).