3-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]butanamide

C12H22N4O — CID 114143955

IUPAC3-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]butanamide
SMILESCCNC(C)CC(=O)NCCc1ccn(C)n1
InChIInChI=1S/C12H22N4O/c1-4-13-10(2)9-12(17)14-7-5-11-6-8-16(3)15-11/h6,8,10,13H,4-5,7,9H2,1-3H3,(H,14,17)
InChIKeyVEGYKNVOMAVFFW-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.47
Rot. Bonds7

About 3-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]butanamide

3-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]butanamide (PubChem CID 114143955) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]butanamide
PubChem CID114143955
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]butanamide
SMILESCCNC(C)CC(=O)NCCc1ccn(C)n1
InChIInChI=1S/C12H22N4O/c1-4-13-10(2)9-12(17)14-7-5-11-6-8-16(3)15-11/h6,8,10,13H,4-5,7,9H2,1-3H3,(H,14,17)
InChIKeyVEGYKNVOMAVFFW-UHFFFAOYSA-N
XLogP0.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4,4-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
CID 114143974
(3S)-3-(aminomethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide
CID 106104964
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]propanamide
CID 106104407
4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
CID 114143984
(2S)-2-amino-3-methyl-N-[2-[2-(1-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]butanamide
CID 106105106
2-[4-(aminomethyl)phenyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106103870
5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 104630849
4-(2-aminoethyl)-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]hexanamide
CID 106105094
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 106106029
4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid
CID 106104330
2-(2-methoxyethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105035
2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105100

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]butanamide?
The IUPAC name of 3-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]butanamide (CID 114143955) is 3-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]butanamide.
What is the SMILES notation for 3-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]butanamide?
The canonical SMILES for 3-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]butanamide is CCNC(C)CC(=O)NCCc1ccn(C)n1.
What is the InChIKey of 3-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]butanamide?
The InChIKey is VEGYKNVOMAVFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-13-10(2)9-12(17)14-7-5-11-6-8-16(3)15-11/h6,8,10,13H,4-5,7,9H2,1-3H3,(H,14,17).
What are the key properties of 3-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]butanamide?
3-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]butanamide has a molecular weight of 238.33 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]butanamide is sourced from PubChem (CID 114143955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).