4-bromo-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-ethylpyrazole-3-carboxamide

C14H19BrN6O2 — CID 19267522

IUPAC4-bromo-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2cnn(CC)c2C(=O)N(C)C)n1
InChIInChI=1S/C14H19BrN6O2/c1-5-20-8-9(15)11(18-20)13(22)17-10-7-16-21(6-2)12(10)14(23)19(3)4/h7-8H,5-6H2,1-4H3,(H,17,22)
InChIKeyROTNKCMINUERNS-UHFFFAOYSA-N
MW383.25 g/mol
LogP1.84
Rot. Bonds5

About 4-bromo-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-ethylpyrazole-3-carboxamide

4-bromo-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-ethylpyrazole-3-carboxamide (PubChem CID 19267522) has the molecular formula C14H19BrN6O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is 4-bromo-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
PubChem CID19267522
Molecular FormulaC14H19BrN6O2
Molecular Weight383.25 g/mol
Exact Mass382.08
IUPAC Name4-bromo-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2cnn(CC)c2C(=O)N(C)C)n1
InChIInChI=1S/C14H19BrN6O2/c1-5-20-8-9(15)11(18-20)13(22)17-10-7-16-21(6-2)12(10)14(23)19(3)4/h7-8H,5-6H2,1-4H3,(H,17,22)
InChIKeyROTNKCMINUERNS-UHFFFAOYSA-N
XLogP1.84
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
CID 4770344
methyl 4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
CID 4863063
4-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262928
1-ethyl-4-[[(E)-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]amino]-N,N-dimethylpyrazole-5-carboxamide
CID 19339991
4-chloro-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19477126
4-chloro-1-ethyl-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19263448
4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19549789
1-ethyl-N,N-dimethyl-4-[3-(3-methylpyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide
CID 19559514
4-bromo-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19267324
4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 1210310
4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19339970
methyl 2-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]benzoate
CID 994072

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-ethylpyrazole-3-carboxamide (CID 19267522) is 4-bromo-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-ethylpyrazole-3-carboxamide is CCn1cc(Br)c(C(=O)Nc2cnn(CC)c2C(=O)N(C)C)n1.
What is the InChIKey of 4-bromo-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is ROTNKCMINUERNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN6O2/c1-5-20-8-9(15)11(18-20)13(22)17-10-7-16-21(6-2)12(10)14(23)19(3)4/h7-8H,5-6H2,1-4H3,(H,17,22).
What are the key properties of 4-bromo-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-ethylpyrazole-3-carboxamide?
4-bromo-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 383.25 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19267522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).