N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylcyclopropane-1-carboxamide

C12H18BrN3O — CID 17374641

IUPACN-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylcyclopropane-1-carboxamide
SMILESCc1nn(CCCNC(=O)C2CC2C)cc1Br
InChIInChI=1S/C12H18BrN3O/c1-8-6-10(8)12(17)14-4-3-5-16-7-11(13)9(2)15-16/h7-8,10H,3-6H2,1-2H3,(H,14,17)
InChIKeyVDOCYMWDFCESCP-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.12
Rot. Bonds5

About N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylcyclopropane-1-carboxamide

N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 17374641) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylcyclopropane-1-carboxamide
PubChem CID17374641
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC NameN-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylcyclopropane-1-carboxamide
SMILESCc1nn(CCCNC(=O)C2CC2C)cc1Br
InChIInChI=1S/C12H18BrN3O/c1-8-6-10(8)12(17)14-4-3-5-16-7-11(13)9(2)15-16/h7-8,10H,3-6H2,1-2H3,(H,14,17)
InChIKeyVDOCYMWDFCESCP-UHFFFAOYSA-N
XLogP2.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.12
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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Related Compounds

2,2-dibromo-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1-methylcyclopropanecarboxamide
CID 3645007
N-[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 17022877
2,2-dibromo-1-methyl-N-[4-(5-methylpyrazol-1-yl)butyl]cyclopropane-1-carboxamide
CID 145967930
3-(4-bromo-3-methylpyrazolyl)-N-cyclopentylpropanamide
CID 19584292
(2S)-2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide
CID 40441239
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,2,2-trifluoroacetamide
CID 19329893
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 19329894
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 19333229
N-(3-aminopropyl)-3-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19621099
(3R)-1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 100702065
(3S)-1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 100702073
1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 119036219

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylcyclopropane-1-carboxamide (CID 17374641) is N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylcyclopropane-1-carboxamide is Cc1nn(CCCNC(=O)C2CC2C)cc1Br.
What is the InChIKey of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is VDOCYMWDFCESCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-8-6-10(8)12(17)14-4-3-5-16-7-11(13)9(2)15-16/h7-8,10H,3-6H2,1-2H3,(H,14,17).
What are the key properties of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylcyclopropane-1-carboxamide?
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 300.20 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 17374641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).