2,2-dibromo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide

C13H19Br2N3O — CID 4070351

IUPAC2,2-dibromo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)C1(C)CC1(Br)Br
InChIInChI=1S/C13H19Br2N3O/c1-8-10(9(2)18(5)16-8)6-17(4)11(19)12(3)7-13(12,14)15/h6-7H2,1-5H3
InChIKeyWNBCMJZLCKTCMS-UHFFFAOYSA-N
MW393.12 g/mol
LogP2.89
Rot. Bonds3

About 2,2-dibromo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide

2,2-dibromo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 4070351) has the molecular formula C13H19Br2N3O and a molecular weight of 393.12 g/mol. Its IUPAC name is 2,2-dibromo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dibromo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
PubChem CID4070351
Molecular FormulaC13H19Br2N3O
Molecular Weight393.12 g/mol
Exact Mass390.99
IUPAC Name2,2-dibromo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)C1(C)CC1(Br)Br
InChIInChI=1S/C13H19Br2N3O/c1-8-10(9(2)18(5)16-8)6-17(4)11(19)12(3)7-13(12,14)15/h6-7H2,1-5H3
InChIKeyWNBCMJZLCKTCMS-UHFFFAOYSA-N
XLogP2.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.12
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2,2-dibromo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45862482
N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanecarboxamide
CID 47452820
(4-Bromo-3,5-dimethylpyrazol-1-yl)-(2,2-dibromo-1-methylcyclopropyl)methanone
CID 4113414
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 19453986
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
CID 19453987
N-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 46396691
(3E)-N-isopropyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]hex-3-enamide
CID 46995215
3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-YL)-2-methyl-1-piperidino-1-propanone
CID 19576051
4-Bromo-N,N,alpha-triethyl-3,5-dimethylpyrazole-1-acetamide
CID 21536680
N,N-dimethyl-2-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 21536711
N,N-dimethyl-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 118615626
Acetyl-methylidene-[(1,3,5-trimethylpyrazol-4-yl)methyl]azanium
CID 123904671

Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dibromo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide (CID 4070351) is 2,2-dibromo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dibromo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dibromo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide is Cc1nn(C)c(C)c1CN(C)C(=O)C1(C)CC1(Br)Br.
What is the InChIKey of 2,2-dibromo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is WNBCMJZLCKTCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2N3O/c1-8-10(9(2)18(5)16-8)6-17(4)11(19)12(3)7-13(12,14)15/h6-7H2,1-5H3.
What are the key properties of 2,2-dibromo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
2,2-dibromo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 393.12 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 4070351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).