1,4-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide

C15H19N3O — CID 110858040

IUPAC1,4-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
SMILESCc1cn(C)nc1C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C15H19N3O/c1-10(2)12-7-5-6-8-13(12)16-15(19)14-11(3)9-18(4)17-14/h5-10H,1-4H3,(H,16,19)
InChIKeyYWMDUECKJIYMNI-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.10
Rot. Bonds3

About 1,4-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide

1,4-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide (PubChem CID 110858040) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1,4-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,4-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
PubChem CID110858040
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1,4-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
SMILESCc1cn(C)nc1C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C15H19N3O/c1-10(2)12-7-5-6-8-13(12)16-15(19)14-11(3)9-18(4)17-14/h5-10H,1-4H3,(H,16,19)
InChIKeyYWMDUECKJIYMNI-UHFFFAOYSA-N
XLogP3.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-1,4-dimethylpyrazole-3-carboxamide
CID 110862780
3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide
CID 2678485
1,5-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110685790
4-amino-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 65355014
N-(2-propan-2-ylphenyl)benzamide
CID 723391
4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 62081566
N-[2-(1-chloroethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107975038
3,6-dichloro-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 26290782
N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110858108
4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262689
N-[2-(1-bromoethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107975155
1,2,5-trimethyl-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide
CID 125145147

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1,4-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide (CID 110858040) is 1,4-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1,4-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1,4-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide is Cc1cn(C)nc1C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 1,4-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide?
The InChIKey is YWMDUECKJIYMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)12-7-5-6-8-13(12)16-15(19)14-11(3)9-18(4)17-14/h5-10H,1-4H3,(H,16,19).
What are the key properties of 1,4-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide?
1,4-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110858040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).