5-amino-N-(2-bromoprop-2-enyl)-1-methylpyrazole-4-carboxamide

C8H11BrN4O — CID 104586972

IUPAC5-amino-N-(2-bromoprop-2-enyl)-1-methylpyrazole-4-carboxamide
SMILESC=C(Br)CNC(=O)c1cnn(C)c1N
InChIInChI=1S/C8H11BrN4O/c1-5(9)3-11-8(14)6-4-12-13(2)7(6)10/h4H,1,3,10H2,2H3,(H,11,14)
InChIKeyLQDNPEJPENUQRU-UHFFFAOYSA-N
MW259.11 g/mol
LogP0.64
Rot. Bonds3

About 5-amino-N-(2-bromoprop-2-enyl)-1-methylpyrazole-4-carboxamide

5-amino-N-(2-bromoprop-2-enyl)-1-methylpyrazole-4-carboxamide (PubChem CID 104586972) has the molecular formula C8H11BrN4O and a molecular weight of 259.11 g/mol. Its IUPAC name is 5-amino-N-(2-bromoprop-2-enyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-bromoprop-2-enyl)-1-methylpyrazole-4-carboxamide
PubChem CID104586972
Molecular FormulaC8H11BrN4O
Molecular Weight259.11 g/mol
Exact Mass258.01
IUPAC Name5-amino-N-(2-bromoprop-2-enyl)-1-methylpyrazole-4-carboxamide
SMILESC=C(Br)CNC(=O)c1cnn(C)c1N
InChIInChI=1S/C8H11BrN4O/c1-5(9)3-11-8(14)6-4-12-13(2)7(6)10/h4H,1,3,10H2,2H3,(H,11,14)
InChIKeyLQDNPEJPENUQRU-UHFFFAOYSA-N
XLogP0.64
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-N-(2-bromoprop-2-enyl)-1-methylpyrazole-4-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

5-amino-1-methyl-N-(3-methylbut-2-enyl)pyrazole-4-carboxamide
CID 103528129
5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide
CID 104928029
5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide
CID 115330437
5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275
5-amino-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 115330672
5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
CID 13174826
5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
CID 82547322
5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide
CID 110485264
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 104592175
5-amino-1-methyl-N-(3-methylsulfonylpropyl)pyrazole-4-carboxamide
CID 115330667
5-amino-N-[2-(diethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 82546931
5-amino-N-[2-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide
CID 115330694

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromoprop-2-enyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2-bromoprop-2-enyl)-1-methylpyrazole-4-carboxamide (CID 104586972) is 5-amino-N-(2-bromoprop-2-enyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-bromoprop-2-enyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-bromoprop-2-enyl)-1-methylpyrazole-4-carboxamide is C=C(Br)CNC(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-N-(2-bromoprop-2-enyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is LQDNPEJPENUQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4O/c1-5(9)3-11-8(14)6-4-12-13(2)7(6)10/h4H,1,3,10H2,2H3,(H,11,14).
What are the key properties of 5-amino-N-(2-bromoprop-2-enyl)-1-methylpyrazole-4-carboxamide?
5-amino-N-(2-bromoprop-2-enyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 259.11 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bromoprop-2-enyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 104586972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).