4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide

C14H15BrN8O2 — CID 19271889

IUPAC4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1ccn(Cn2cc(Br)cn2)n1
InChIInChI=1S/C14H15BrN8O2/c1-16-14(25)12-11(7-21(2)20-12)18-13(24)10-3-4-22(19-10)8-23-6-9(15)5-17-23/h3-7H,8H2,1-2H3,(H,16,25)(H,18,24)
InChIKeyKZQZOVYBKZGOOE-UHFFFAOYSA-N
MW407.23 g/mol
LogP0.69
Rot. Bonds5

About 4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide

4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 19271889) has the molecular formula C14H15BrN8O2 and a molecular weight of 407.23 g/mol. Its IUPAC name is 4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID19271889
Molecular FormulaC14H15BrN8O2
Molecular Weight407.23 g/mol
Exact Mass406.05
IUPAC Name4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1ccn(Cn2cc(Br)cn2)n1
InChIInChI=1S/C14H15BrN8O2/c1-16-14(25)12-11(7-21(2)20-12)18-13(24)10-3-4-22(19-10)8-23-6-9(15)5-17-23/h3-7H,8H2,1-2H3,(H,16,25)(H,18,24)
InChIKeyKZQZOVYBKZGOOE-UHFFFAOYSA-N
XLogP0.69
TPSA111.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.23
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-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,1-dimethyl-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
CID 19264717
4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19271796
4-[[1-(methoxymethyl)pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19270975
1-[(4-bromopyrazol-1-yl)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19271850
1-[(4-bromopyrazol-1-yl)methyl]-N-ethylpyrazole-3-carboxamide
CID 19271904
1-[(4-bromopyrazol-1-yl)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide
CID 19271635
1-[(4-bromopyrazol-1-yl)methyl]-N-phenylpyrazole-3-carboxamide
CID 19271719
1-[(4-bromopyrazol-1-yl)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide
CID 19271789
1-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19271709
1-[(4-bromopyrazol-1-yl)methyl]-N-butan-2-ylpyrazole-3-carboxamide
CID 19271750
1-[(4-bromopyrazol-1-yl)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19271730
1-[(4-bromopyrazol-1-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazole-3-carboxamide
CID 19271925

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide (CID 19271889) is 4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)c1ccn(Cn2cc(Br)cn2)n1.
What is the InChIKey of 4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is KZQZOVYBKZGOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN8O2/c1-16-14(25)12-11(7-21(2)20-12)18-13(24)10-3-4-22(19-10)8-23-6-9(15)5-17-23/h3-7H,8H2,1-2H3,(H,16,25)(H,18,24).
What are the key properties of 4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 407.23 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19271889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).