3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide

C11H20N4O — CID 62904261

IUPAC3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide
SMILESCCNCCC(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C11H20N4O/c1-4-12-6-5-11(16)14-10-7-13-15(8-10)9(2)3/h7-9,12H,4-6H2,1-3H3,(H,14,16)
InChIKeySBLBQUGBCMSAAE-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.40
Rot. Bonds6

About 3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide

3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide (PubChem CID 62904261) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide
PubChem CID62904261
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide
SMILESCCNCCC(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C11H20N4O/c1-4-12-6-5-11(16)14-10-7-13-15(8-10)9(2)3/h7-9,12H,4-6H2,1-3H3,(H,14,16)
InChIKeySBLBQUGBCMSAAE-UHFFFAOYSA-N
XLogP1.40
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 79192619
4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid
CID 62904061
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide
CID 62836061
3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 62903579
2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 62904075
2-anilino-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 55132216
2-[1-(aminomethyl)cyclobutyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 81168482
1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 110010595
1-(3-hydroxy-4-methylpentyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111618216
5-oxo-5-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 62903409
3-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 86883901
2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62999988

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide?
The IUPAC name of 3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide (CID 62904261) is 3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide?
The canonical SMILES for 3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide is CCNCCC(=O)Nc1cnn(C(C)C)c1.
What is the InChIKey of 3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide?
The InChIKey is SBLBQUGBCMSAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-12-6-5-11(16)14-10-7-13-15(8-10)9(2)3/h7-9,12H,4-6H2,1-3H3,(H,14,16).
What are the key properties of 3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide?
3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide has a molecular weight of 224.31 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide is sourced from PubChem (CID 62904261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).