N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide

C14H17N3O — CID 19474851

IUPACN-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cn(C)nc2C)c1
InChIInChI=1S/C14H17N3O/c1-9-5-6-10(2)13(7-9)15-14(18)12-8-17(4)16-11(12)3/h5-8H,1-4H3,(H,15,18)
InChIKeyAASRGOYRSBKNTE-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.60
Rot. Bonds2

About N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide

N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 19474851) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID19474851
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cn(C)nc2C)c1
InChIInChI=1S/C14H17N3O/c1-9-5-6-10(2)13(7-9)15-14(18)12-8-17(4)16-11(12)3/h5-8H,1-4H3,(H,15,18)
InChIKeyAASRGOYRSBKNTE-UHFFFAOYSA-N
XLogP2.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008319
N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 35523427
4-bromo-N-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262777
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474826
N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285316
N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285304
4-N,5-N-bis(2,5-dimethylphenyl)-1-methylpyrazole-4,5-dicarboxamide
CID 29096951
3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid
CID 75513355
N-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857256
N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 110859405
N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285310
1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide
CID 19474955

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide (CID 19474851) is N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1ccc(C)c(NC(=O)c2cn(C)nc2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is AASRGOYRSBKNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-5-6-10(2)13(7-9)15-14(18)12-8-17(4)16-11(12)3/h5-8H,1-4H3,(H,15,18).
What are the key properties of N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19474851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).