4-amino-1-ethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide

C15H21N5O — CID 65357594

IUPAC4-amino-1-ethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C15H21N5O/c1-3-20-14(13(16)11-18-20)15(21)17-9-10-19(2)12-7-5-4-6-8-12/h4-8,11H,3,9-10,16H2,1-2H3,(H,17,21)
InChIKeyGNAYJKXUMDCCRT-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.35
Rot. Bonds6

About 4-amino-1-ethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide

4-amino-1-ethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide (PubChem CID 65357594) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide
PubChem CID65357594
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-amino-1-ethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C15H21N5O/c1-3-20-14(13(16)11-18-20)15(21)17-9-10-19(2)12-7-5-4-6-8-12/h4-8,11H,3,9-10,16H2,1-2H3,(H,17,21)
InChIKeyGNAYJKXUMDCCRT-UHFFFAOYSA-N
XLogP1.35
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide (CID 65357594) is 4-amino-1-ethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)NCCN(C)c1ccccc1.
What is the InChIKey of 4-amino-1-ethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide?
The InChIKey is GNAYJKXUMDCCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-20-14(13(16)11-18-20)15(21)17-9-10-19(2)12-7-5-4-6-8-12/h4-8,11H,3,9-10,16H2,1-2H3,(H,17,21).
What are the key properties of 4-amino-1-ethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide?
4-amino-1-ethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 65357594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).