4-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-1-ethyl-3-methylpyrazole-5-carboxamide

C13H23N5O2 — CID 106274694

IUPAC4-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-1-ethyl-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)NCC(C)(C)C(=O)NC
InChIInChI=1S/C13H23N5O2/c1-6-18-10(9(14)8(2)17-18)11(19)16-7-13(3,4)12(20)15-5/h6-7,14H2,1-5H3,(H,15,20)(H,16,19)
InChIKeySTFYIBGDPRQLFM-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.30
Rot. Bonds5

About 4-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-1-ethyl-3-methylpyrazole-5-carboxamide

4-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-1-ethyl-3-methylpyrazole-5-carboxamide (PubChem CID 106274694) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-1-ethyl-3-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-1-ethyl-3-methylpyrazole-5-carboxamide
PubChem CID106274694
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name4-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-1-ethyl-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)NCC(C)(C)C(=O)NC
InChIInChI=1S/C13H23N5O2/c1-6-18-10(9(14)8(2)17-18)11(19)16-7-13(3,4)12(20)15-5/h6-7,14H2,1-5H3,(H,15,20)(H,16,19)
InChIKeySTFYIBGDPRQLFM-UHFFFAOYSA-N
XLogP0.30
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 66125449
4-amino-1-ethyl-3-methyl-N-(2-methylsulfanylpropyl)pyrazole-5-carboxamide
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4-amino-1-ethyl-N-(4-methoxybutyl)-3-methylpyrazole-5-carboxamide
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4-amino-1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpyrazole-5-carboxamide
CID 106308564
4-amino-1-ethyl-3-methyl-N-(3-methylsulfanylbutyl)pyrazole-5-carboxamide
CID 113493841
4-amino-1-ethyl-3-methyl-N-(3-propoxypropyl)pyrazole-5-carboxamide
CID 82950007
4-amino-1-ethyl-3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazole-5-carboxamide
CID 66123485
[2-(methylamino)-2-oxoethyl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124701
4-amino-1-ethyl-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-5-carboxamide
CID 79352013
4-amino-1-ethyl-3-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-5-carboxamide
CID 114187167
4-amino-1-ethyl-N-(3-ethylpentan-2-yl)-3-methylpyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-1-ethyl-3-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-1-ethyl-3-methylpyrazole-5-carboxamide (CID 106274694) is 4-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-1-ethyl-3-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-1-ethyl-3-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-1-ethyl-3-methylpyrazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)NCC(C)(C)C(=O)NC.
What is the InChIKey of 4-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-1-ethyl-3-methylpyrazole-5-carboxamide?
The InChIKey is STFYIBGDPRQLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-6-18-10(9(14)8(2)17-18)11(19)16-7-13(3,4)12(20)15-5/h6-7,14H2,1-5H3,(H,15,20)(H,16,19).
What are the key properties of 4-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-1-ethyl-3-methylpyrazole-5-carboxamide?
4-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-1-ethyl-3-methylpyrazole-5-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-1-ethyl-3-methylpyrazole-5-carboxamide is sourced from PubChem (CID 106274694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).