5-ethyl-N,N-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide

C15H19N3O — CID 30837651

IUPAC5-ethyl-N,N-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)N(C)C)cnn1-c1cccc(C)c1
InChIInChI=1S/C15H19N3O/c1-5-14-13(15(19)17(3)4)10-16-18(14)12-8-6-7-11(2)9-12/h6-10H,5H2,1-4H3
InChIKeyBPYMMTBKJKKYFO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.44
Rot. Bonds3

About 5-ethyl-N,N-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide

5-ethyl-N,N-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide (PubChem CID 30837651) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-ethyl-N,N-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N,N-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide
PubChem CID30837651
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-ethyl-N,N-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)N(C)C)cnn1-c1cccc(C)c1
InChIInChI=1S/C15H19N3O/c1-5-14-13(15(19)17(3)4)10-16-18(14)12-8-6-7-11(2)9-12/h6-10H,5H2,1-4H3
InChIKeyBPYMMTBKJKKYFO-UHFFFAOYSA-N
XLogP2.44
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,N-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N,N-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide (CID 30837651) is 5-ethyl-N,N-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N,N-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N,N-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide is CCc1c(C(=O)N(C)C)cnn1-c1cccc(C)c1.
What is the InChIKey of 5-ethyl-N,N-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is BPYMMTBKJKKYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-5-14-13(15(19)17(3)4)10-16-18(14)12-8-6-7-11(2)9-12/h6-10H,5H2,1-4H3.
What are the key properties of 5-ethyl-N,N-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide?
5-ethyl-N,N-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,N-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 30837651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).