3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide

C12H13N3O — CID 53017437

IUPAC3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(N)=O)[nH]n2)cc1C
InChIInChI=1S/C12H13N3O/c1-7-3-4-9(5-8(7)2)10-6-11(12(13)16)15-14-10/h3-6H,1-2H3,(H2,13,16)(H,14,15)
InChIKeyJUPJZTZJIZYMSN-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.79
Rot. Bonds2

About 3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide

3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 53017437) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID53017437
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(N)=O)[nH]n2)cc1C
InChIInChI=1S/C12H13N3O/c1-7-3-4-9(5-8(7)2)10-6-11(12(13)16)15-14-10/h3-6H,1-2H3,(H2,13,16)(H,14,15)
InChIKeyJUPJZTZJIZYMSN-UHFFFAOYSA-N
XLogP1.79
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide (CID 53017437) is 3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(N)=O)[nH]n2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is JUPJZTZJIZYMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-7-3-4-9(5-8(7)2)10-6-11(12(13)16)15-14-10/h3-6H,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of 3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide?
3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 53017437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).