1-(3-chlorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N,5-dimethylpyrazole-3-carboxamide

C17H17ClN4O2 — CID 75446709

IUPAC1-(3-chlorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N,5-dimethylpyrazole-3-carboxamide
SMILESCc1noc(C)c1N(C)C(=O)c1cc(C)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H17ClN4O2/c1-10-8-15(19-22(10)14-7-5-6-13(18)9-14)17(23)21(4)16-11(2)20-24-12(16)3/h5-9H,1-4H3
InChIKeyWZVTWODZNKNXBQ-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.72
Rot. Bonds3

About 1-(3-chlorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N,5-dimethylpyrazole-3-carboxamide

1-(3-chlorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N,5-dimethylpyrazole-3-carboxamide (PubChem CID 75446709) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N,5-dimethylpyrazole-3-carboxamide
PubChem CID75446709
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name1-(3-chlorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N,5-dimethylpyrazole-3-carboxamide
SMILESCc1noc(C)c1N(C)C(=O)c1cc(C)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H17ClN4O2/c1-10-8-15(19-22(10)14-7-5-6-13(18)9-14)17(23)21(4)16-11(2)20-24-12(16)3/h5-9H,1-4H3
InChIKeyWZVTWODZNKNXBQ-UHFFFAOYSA-N
XLogP3.72
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N,5-dimethylpyrazole-3-carboxamide (CID 75446709) is 1-(3-chlorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N,5-dimethylpyrazole-3-carboxamide is Cc1noc(C)c1N(C)C(=O)c1cc(C)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N,5-dimethylpyrazole-3-carboxamide?
The InChIKey is WZVTWODZNKNXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-10-8-15(19-22(10)14-7-5-6-13(18)9-14)17(23)21(4)16-11(2)20-24-12(16)3/h5-9H,1-4H3.
What are the key properties of 1-(3-chlorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N,5-dimethylpyrazole-3-carboxamide?
1-(3-chlorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N,5-dimethylpyrazole-3-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 75446709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).