4-bromo-N-(4-cyano-1-methylpyrazol-5-yl)-1H-pyrazole-5-carboxamide

C9H7BrN6O — CID 19511444

IUPAC4-bromo-N-(4-cyano-1-methylpyrazol-5-yl)-1H-pyrazole-5-carboxamide
SMILESCn1ncc(C#N)c1NC(=O)c1[nH]ncc1Br
InChIInChI=1S/C9H7BrN6O/c1-16-8(5(2-11)3-13-16)14-9(17)7-6(10)4-12-15-7/h3-4H,1H3,(H,12,15)(H,14,17)
InChIKeyOYLMGKWLOTXQGO-UHFFFAOYSA-N
MW295.10 g/mol
LogP1.03
Rot. Bonds2

About 4-bromo-N-(4-cyano-1-methylpyrazol-5-yl)-1H-pyrazole-5-carboxamide

4-bromo-N-(4-cyano-1-methylpyrazol-5-yl)-1H-pyrazole-5-carboxamide (PubChem CID 19511444) has the molecular formula C9H7BrN6O and a molecular weight of 295.10 g/mol. Its IUPAC name is 4-bromo-N-(4-cyano-1-methylpyrazol-5-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-cyano-1-methylpyrazol-5-yl)-1H-pyrazole-5-carboxamide
PubChem CID19511444
Molecular FormulaC9H7BrN6O
Molecular Weight295.10 g/mol
Exact Mass293.99
IUPAC Name4-bromo-N-(4-cyano-1-methylpyrazol-5-yl)-1H-pyrazole-5-carboxamide
SMILESCn1ncc(C#N)c1NC(=O)c1[nH]ncc1Br
InChIInChI=1S/C9H7BrN6O/c1-16-8(5(2-11)3-13-16)14-9(17)7-6(10)4-12-15-7/h3-4H,1H3,(H,12,15)(H,14,17)
InChIKeyOYLMGKWLOTXQGO-UHFFFAOYSA-N
XLogP1.03
TPSA99.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.10
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-cyano-1-methylpyrazol-5-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(4-cyano-1-methylpyrazol-5-yl)-1H-pyrazole-5-carboxamide (CID 19511444) is 4-bromo-N-(4-cyano-1-methylpyrazol-5-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-cyano-1-methylpyrazol-5-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(4-cyano-1-methylpyrazol-5-yl)-1H-pyrazole-5-carboxamide is Cn1ncc(C#N)c1NC(=O)c1[nH]ncc1Br.
What is the InChIKey of 4-bromo-N-(4-cyano-1-methylpyrazol-5-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is OYLMGKWLOTXQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN6O/c1-16-8(5(2-11)3-13-16)14-9(17)7-6(10)4-12-15-7/h3-4H,1H3,(H,12,15)(H,14,17).
What are the key properties of 4-bromo-N-(4-cyano-1-methylpyrazol-5-yl)-1H-pyrazole-5-carboxamide?
4-bromo-N-(4-cyano-1-methylpyrazol-5-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 295.10 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-cyano-1-methylpyrazol-5-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19511444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).