4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide

C11H14BrN5O — CID 4771766

IUPAC4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1c(Br)cnn1C
InChIInChI=1S/C11H14BrN5O/c1-6-9(7(2)16(3)15-6)14-11(18)10-8(12)5-13-17(10)4/h5H,1-4H3,(H,14,18)
InChIKeyMNFNJIVGWKAPCO-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.79
Rot. Bonds2

About 4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide

4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide (PubChem CID 4771766) has the molecular formula C11H14BrN5O and a molecular weight of 312.17 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
PubChem CID4771766
Molecular FormulaC11H14BrN5O
Molecular Weight312.17 g/mol
Exact Mass311.04
IUPAC Name4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1c(Br)cnn1C
InChIInChI=1S/C11H14BrN5O/c1-6-9(7(2)16(3)15-6)14-11(18)10-8(12)5-13-17(10)4/h5H,1-4H3,(H,14,18)
InChIKeyMNFNJIVGWKAPCO-UHFFFAOYSA-N
XLogP1.79
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide (CID 4771766) is 4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide is Cc1nn(C)c(C)c1NC(=O)c1c(Br)cnn1C.
What is the InChIKey of 4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The InChIKey is MNFNJIVGWKAPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O/c1-6-9(7(2)16(3)15-6)14-11(18)10-8(12)5-13-17(10)4/h5H,1-4H3,(H,14,18).
What are the key properties of 4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide has a molecular weight of 312.17 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 4771766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).