4-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide

C16H19BrN8O2 — CID 19262928

IUPAC4-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCCn1ncc(NC(=O)c2nn(C)cc2Br)c1C(=O)Nc1cnn(C)c1C
InChIInChI=1S/C16H19BrN8O2/c1-5-25-14(16(27)20-11-6-18-24(4)9(11)2)12(7-19-25)21-15(26)13-10(17)8-23(3)22-13/h6-8H,5H2,1-4H3,(H,20,27)(H,21,26)
InChIKeyGLJQMLKIBRUUOE-UHFFFAOYSA-N
MW435.29 g/mol
LogP1.95
Rot. Bonds5

About 4-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide

4-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 19262928) has the molecular formula C16H19BrN8O2 and a molecular weight of 435.29 g/mol. Its IUPAC name is 4-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide
PubChem CID19262928
Molecular FormulaC16H19BrN8O2
Molecular Weight435.29 g/mol
Exact Mass434.08
IUPAC Name4-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCCn1ncc(NC(=O)c2nn(C)cc2Br)c1C(=O)Nc1cnn(C)c1C
InChIInChI=1S/C16H19BrN8O2/c1-5-25-14(16(27)20-11-6-18-24(4)9(11)2)12(7-19-25)21-15(26)13-10(17)8-23(3)22-13/h6-8H,5H2,1-4H3,(H,20,27)(H,21,26)
InChIKeyGLJQMLKIBRUUOE-UHFFFAOYSA-N
XLogP1.95
TPSA111.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide
CID 4767722
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19477417
4-chloro-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268106
4-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19538352
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(1-ethylpyrazole-3-carbonyl)amino]pyrazole-5-carboxamide
CID 19262390
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide
CID 19339776
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide
CID 19339082
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[3-(3-methylpyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide
CID 19559513
2-[5-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487755
N-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 19264018
4-bromo-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19267522
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide
CID 19339079

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide (CID 19262928) is 4-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide is CCn1ncc(NC(=O)c2nn(C)cc2Br)c1C(=O)Nc1cnn(C)c1C.
What is the InChIKey of 4-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is GLJQMLKIBRUUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN8O2/c1-5-25-14(16(27)20-11-6-18-24(4)9(11)2)12(7-19-25)21-15(26)13-10(17)8-23(3)22-13/h6-8H,5H2,1-4H3,(H,20,27)(H,21,26).
What are the key properties of 4-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide?
4-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 435.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19262928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).