N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide

C14H16ClN3O — CID 110859405

IUPACN-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cn(C)nc2C)c(Cl)c1
InChIInChI=1S/C14H16ClN3O/c1-8-5-9(2)13(12(15)6-8)16-14(19)11-7-18(4)17-10(11)3/h5-7H,1-4H3,(H,16,19)
InChIKeyAEHLWAMQFOEEAW-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.25
Rot. Bonds2

About N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 110859405) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID110859405
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cn(C)nc2C)c(Cl)c1
InChIInChI=1S/C14H16ClN3O/c1-8-5-9(2)13(12(15)6-8)16-14(19)11-7-18(4)17-10(11)3/h5-7H,1-4H3,(H,16,19)
InChIKeyAEHLWAMQFOEEAW-UHFFFAOYSA-N
XLogP3.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474782
N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazole-4-carboxamide
CID 110695870
N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84550037
N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285316
N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474851
N-(2-chloro-4,6-dimethylphenyl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 110299434
2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 731571
N-(2,3-dichloro-4-fluoro-6-phenylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 123339665
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-(2-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103799786
2-chloro-4-[(1,3-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 102801412
3-amino-N-(2-chloro-4,6-dimethylphenyl)pyridine-4-carboxamide
CID 110859454

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide (CID 110859405) is N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1cc(C)c(NC(=O)c2cn(C)nc2C)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is AEHLWAMQFOEEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-8-5-9(2)13(12(15)6-8)16-14(19)11-7-18(4)17-10(11)3/h5-7H,1-4H3,(H,16,19).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 277.76 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 110859405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).