4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide

C12H15BrN6O2 — CID 4770344

IUPAC4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2c(Br)cnn2CC)c(C(N)=O)n1
InChIInChI=1S/C12H15BrN6O2/c1-3-18-6-8(9(17-18)11(14)20)16-12(21)10-7(13)5-15-19(10)4-2/h5-6H,3-4H2,1-2H3,(H2,14,20)(H,16,21)
InChIKeyIRGHUPMHPVMDDN-UHFFFAOYSA-N
MW355.20 g/mol
LogP1.23
Rot. Bonds5

About 4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide

4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide (PubChem CID 4770344) has the molecular formula C12H15BrN6O2 and a molecular weight of 355.20 g/mol. Its IUPAC name is 4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
PubChem CID4770344
Molecular FormulaC12H15BrN6O2
Molecular Weight355.20 g/mol
Exact Mass354.04
IUPAC Name4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2c(Br)cnn2CC)c(C(N)=O)n1
InChIInChI=1S/C12H15BrN6O2/c1-3-18-6-8(9(17-18)11(14)20)16-12(21)10-7(13)5-15-19(10)4-2/h5-6H,3-4H2,1-2H3,(H2,14,20)(H,16,21)
InChIKeyIRGHUPMHPVMDDN-UHFFFAOYSA-N
XLogP1.23
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
CID 4863063
1-ethyl-4-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxamide
CID 4772267
4-bromo-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19267522
4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19271796
4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19520691
1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxamide
CID 19412436
4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19479345
4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide
CID 35522791
4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19412582
4-bromo-1-ethyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-5-carboxamide
CID 19476696
1-ethyl-4-formamidopyrazole-3-carboxamide
CID 4777031
4-[(3,4-diethoxybenzoyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19412447

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide (CID 4770344) is 4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide is CCn1cc(NC(=O)c2c(Br)cnn2CC)c(C(N)=O)n1.
What is the InChIKey of 4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide?
The InChIKey is IRGHUPMHPVMDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN6O2/c1-3-18-6-8(9(17-18)11(14)20)16-12(21)10-7(13)5-15-19(10)4-2/h5-6H,3-4H2,1-2H3,(H2,14,20)(H,16,21).
What are the key properties of 4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide?
4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide has a molecular weight of 355.20 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 4770344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).