N-[1-(2-bromophenyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide

C14H12BrN5O — CID 71909338

IUPACN-[1-(2-bromophenyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1cnn(-c2ccccc2Br)c1
InChIInChI=1S/C14H12BrN5O/c1-19-13(6-7-16-19)14(21)18-10-8-17-20(9-10)12-5-3-2-4-11(12)15/h2-9H,1H3,(H,18,21)
InChIKeyRAYNELHXGVNWHR-UHFFFAOYSA-N
MW346.19 g/mol
LogP2.62
Rot. Bonds3

About N-[1-(2-bromophenyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide

N-[1-(2-bromophenyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 71909338) has the molecular formula C14H12BrN5O and a molecular weight of 346.19 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
PubChem CID71909338
Molecular FormulaC14H12BrN5O
Molecular Weight346.19 g/mol
Exact Mass345.02
IUPAC NameN-[1-(2-bromophenyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1cnn(-c2ccccc2Br)c1
InChIInChI=1S/C14H12BrN5O/c1-19-13(6-7-16-19)14(21)18-10-8-17-20(9-10)12-5-3-2-4-11(12)15/h2-9H,1H3,(H,18,21)
InChIKeyRAYNELHXGVNWHR-UHFFFAOYSA-N
XLogP2.62
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(2-bromophenyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide (CID 71909338) is N-[1-(2-bromophenyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-bromophenyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(2-bromophenyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1cnn(-c2ccccc2Br)c1.
What is the InChIKey of N-[1-(2-bromophenyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is RAYNELHXGVNWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O/c1-19-13(6-7-16-19)14(21)18-10-8-17-20(9-10)12-5-3-2-4-11(12)15/h2-9H,1H3,(H,18,21).
What are the key properties of N-[1-(2-bromophenyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide?
N-[1-(2-bromophenyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 346.19 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 71909338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).