3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide

C12H13N3O — CID 43429529

IUPAC3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cn[nH]c2)cc1C
InChIInChI=1S/C12H13N3O/c1-8-3-4-10(5-9(8)2)12(16)15-11-6-13-14-7-11/h3-7H,1-2H3,(H,13,14)(H,15,16)
InChIKeyQSDYDTWLLKMOMD-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.28
Rot. Bonds2

About 3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide

3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 43429529) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide
PubChem CID43429529
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cn[nH]c2)cc1C
InChIInChI=1S/C12H13N3O/c1-8-3-4-10(5-9(8)2)12(16)15-11-6-13-14-7-11/h3-7H,1-2H3,(H,13,14)(H,15,16)
InChIKeyQSDYDTWLLKMOMD-UHFFFAOYSA-N
XLogP2.28
TPSA57.78 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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 43540289
4-hydroxy-N-(1H-pyrazol-4-yl)benzamide
CID 43540288
4-methoxy-N-(1H-pyrazol-4-yl)benzamide
CID 43429414
3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43539715
3-methoxy-4-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 115602226
3-amino-N-(1H-pyrazol-4-yl)benzamide
CID 43539714
2-amino-N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 62154464
3-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43429419
4-methyl-N-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 166293801
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
2,6-difluoro-3-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 82816091
4-(methylamino)-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 62169200

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide (CID 43429529) is 3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide is Cc1ccc(C(=O)Nc2cn[nH]c2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is QSDYDTWLLKMOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-3-4-10(5-9(8)2)12(16)15-11-6-13-14-7-11/h3-7H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide?
3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 215.26 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 43429529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).