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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Related Compounds

1-Butyl-3-(2-cyclohexylpyrazol-3-yl)urea
CID 2103165
N-[1-(butan-2-yl)-1H-pyrazol-5-yl]-2-chloropropanamide
CID 5018500
2-cyclopentylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 2998318
1-Butyl-3-(1-methylpyrazol-3-yl)urea
CID 2807715
2-chloro-N-[1-(propan-2-yl)-1H-pyrazol-5-yl]propanamide
CID 3162831
N-(1-ethyl-1H-pyrazol-3-yl)acetamide
CID 68075151
Pyrazolo[1,5-a]pyrimidin-5(1H)-one
CID 135513288
4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidin-5-one
CID 135636708
3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide
CID 19566261
2-(4-acetyl-1,4-diazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 45800016
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 56811009
N-[1-(pyrrolidin-3-yl)-1H-pyrazol-3-yl]acetamide dihydrochloride
CID 86767537

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).