4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-3-methylpyrazole-5-carboxamide

C12H23N5O — CID 66125449

IUPAC4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-3-methylpyrazole-5-carboxamide
SMILESCCN(C)CCNC(=O)c1c(N)c(C)nn1CC
InChIInChI=1S/C12H23N5O/c1-5-16(4)8-7-14-12(18)11-10(13)9(3)15-17(11)6-2/h5-8,13H2,1-4H3,(H,14,18)
InChIKeyXFTBCEWOCJYDRW-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.48
Rot. Bonds6

About 4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-3-methylpyrazole-5-carboxamide

4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-3-methylpyrazole-5-carboxamide (PubChem CID 66125449) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-3-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-3-methylpyrazole-5-carboxamide
PubChem CID66125449
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-3-methylpyrazole-5-carboxamide
SMILESCCN(C)CCNC(=O)c1c(N)c(C)nn1CC
InChIInChI=1S/C12H23N5O/c1-5-16(4)8-7-14-12(18)11-10(13)9(3)15-17(11)6-2/h5-8,13H2,1-4H3,(H,14,18)
InChIKeyXFTBCEWOCJYDRW-UHFFFAOYSA-N
XLogP0.48
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.48
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-[ethyl(methyl)amino]ethyl]-3-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-3-methylpyrazole-5-carboxamide (CID 66125449) is 4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-3-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-3-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-3-methylpyrazole-5-carboxamide is CCN(C)CCNC(=O)c1c(N)c(C)nn1CC.
What is the InChIKey of 4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-3-methylpyrazole-5-carboxamide?
The InChIKey is XFTBCEWOCJYDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-5-16(4)8-7-14-12(18)11-10(13)9(3)15-17(11)6-2/h5-8,13H2,1-4H3,(H,14,18).
What are the key properties of 4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-3-methylpyrazole-5-carboxamide?
4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-3-methylpyrazole-5-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.48, 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-[ethyl(methyl)amino]ethyl]-3-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66125449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).