N-[1-(2-bromophenyl)pyrazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide

C15H14BrN5O — CID 99700226

IUPACN-[1-(2-bromophenyl)pyrazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(-c3ccccc3Br)c2)n(C)n1
InChIInChI=1S/C15H14BrN5O/c1-10-7-14(20(2)19-10)15(22)18-11-8-17-21(9-11)13-6-4-3-5-12(13)16/h3-9H,1-2H3,(H,18,22)
InChIKeyDWEAYSCYFPSAGE-UHFFFAOYSA-N
MW360.22 g/mol
LogP2.93
Rot. Bonds3

About N-[1-(2-bromophenyl)pyrazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide

N-[1-(2-bromophenyl)pyrazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 99700226) has the molecular formula C15H14BrN5O and a molecular weight of 360.22 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)pyrazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)pyrazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID99700226
Molecular FormulaC15H14BrN5O
Molecular Weight360.22 g/mol
Exact Mass359.04
IUPAC NameN-[1-(2-bromophenyl)pyrazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(-c3ccccc3Br)c2)n(C)n1
InChIInChI=1S/C15H14BrN5O/c1-10-7-14(20(2)19-10)15(22)18-11-8-17-21(9-11)13-6-4-3-5-12(13)16/h3-9H,1-2H3,(H,18,22)
InChIKeyDWEAYSCYFPSAGE-UHFFFAOYSA-N
XLogP2.93
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-bromophenyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 71909338
N-[1-(2-bromophenyl)pyrazol-4-yl]-3-methylfuran-2-carboxamide
CID 99700244
N'-(2-bromobenzoyl)-2,5-dimethylpyrazole-3-carbohydrazide
CID 87023377
N-[1-(2-bromophenyl)pyrazol-4-yl]-2,2-dimethyl-3-methylsulfanylpropanamide
CID 146083214
N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685886
N-[4-(bromomethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 114310907
N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61059268
N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685894
N-(6-fluoro-3-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide
CID 103789986
N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481236
2,5-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 19481245
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 66128613

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)pyrazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(2-bromophenyl)pyrazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide (CID 99700226) is N-[1-(2-bromophenyl)pyrazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-bromophenyl)pyrazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(2-bromophenyl)pyrazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cnn(-c3ccccc3Br)c2)n(C)n1.
What is the InChIKey of N-[1-(2-bromophenyl)pyrazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is DWEAYSCYFPSAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5O/c1-10-7-14(20(2)19-10)15(22)18-11-8-17-21(9-11)13-6-4-3-5-12(13)16/h3-9H,1-2H3,(H,18,22).
What are the key properties of N-[1-(2-bromophenyl)pyrazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide?
N-[1-(2-bromophenyl)pyrazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 360.22 g/mol, XLogP of 2.93, 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]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 99700226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).