3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide

C12H13N3O — CID 10703885

IUPAC3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1ccccc1
InChIInChI=1S/C12H13N3O/c1-8-11(9(2)15-14-8)12(16)13-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,16)(H,14,15)
InChIKeyTWQARRJUQHFBRS-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.28
Rot. Bonds2

About 3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 10703885) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
PubChem CID10703885
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1ccccc1
InChIInChI=1S/C12H13N3O/c1-8-11(9(2)15-14-8)12(16)13-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,16)(H,14,15)
InChIKeyTWQARRJUQHFBRS-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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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide (CID 10703885) is 3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)Nc1ccccc1.
What is the InChIKey of 3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is TWQARRJUQHFBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-11(9(2)15-14-8)12(16)13-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide 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 3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 10703885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).