3-(ethylamino)-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C12H22N4O — CID 62853946

IUPAC3-(ethylamino)-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCCNCC(C)C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C12H22N4O/c1-5-13-8-10(4)12(17)15-11-6-7-14-16(11)9(2)3/h6-7,9-10,13H,5,8H2,1-4H3,(H,15,17)
InChIKeyJXNYCZDPDZVERL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.65
Rot. Bonds6

About 3-(ethylamino)-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide

3-(ethylamino)-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 62853946) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(ethylamino)-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID62853946
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-(ethylamino)-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCCNCC(C)C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C12H22N4O/c1-5-13-8-10(4)12(17)15-11-6-7-14-16(11)9(2)3/h6-7,9-10,13H,5,8H2,1-4H3,(H,15,17)
InChIKeyJXNYCZDPDZVERL-UHFFFAOYSA-N
XLogP1.65
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 3-(ethylamino)-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 62853946) is 3-(ethylamino)-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(ethylamino)-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-(ethylamino)-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CCNCC(C)C(=O)Nc1ccnn1C(C)C.
What is the InChIKey of 3-(ethylamino)-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is JXNYCZDPDZVERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-13-8-10(4)12(17)15-11-6-7-14-16(11)9(2)3/h6-7,9-10,13H,5,8H2,1-4H3,(H,15,17).
What are the key properties of 3-(ethylamino)-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
3-(ethylamino)-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 238.33 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 62853946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).