N-(3-aminopropyl)-N-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide

C13H24N4O2 — CID 63287367

IUPACN-(3-aminopropyl)-N-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCOCCN(CCCN)C(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C13H24N4O2/c1-10-12(11(2)16(3)15-10)13(18)17(7-5-6-14)8-9-19-4/h5-9,14H2,1-4H3
InChIKeyQPCFSBYOEJKPFZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.47
Rot. Bonds7

About N-(3-aminopropyl)-N-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(3-aminopropyl)-N-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 63287367) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID63287367
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-(3-aminopropyl)-N-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCOCCN(CCCN)C(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C13H24N4O2/c1-10-12(11(2)16(3)15-10)13(18)17(7-5-6-14)8-9-19-4/h5-9,14H2,1-4H3
InChIKeyQPCFSBYOEJKPFZ-UHFFFAOYSA-N
XLogP0.47
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 63287367) is N-(3-aminopropyl)-N-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide is COCCN(CCCN)C(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-(3-aminopropyl)-N-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is QPCFSBYOEJKPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-10-12(11(2)16(3)15-10)13(18)17(7-5-6-14)8-9-19-4/h5-9,14H2,1-4H3.
What are the key properties of N-(3-aminopropyl)-N-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(3-aminopropyl)-N-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 63287367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).