3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide

C11H20N4O — CID 107463044

IUPAC3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide
SMILESCCc1nn(C)cc1NC(=O)C(C)C(C)N
InChIInChI=1S/C11H20N4O/c1-5-9-10(6-15(4)14-9)13-11(16)7(2)8(3)12/h6-8H,5,12H2,1-4H3,(H,13,16)
InChIKeyNVWPPISMZXXQLB-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.90
Rot. Bonds4

About 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide

3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide (PubChem CID 107463044) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide
PubChem CID107463044
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide
SMILESCCc1nn(C)cc1NC(=O)C(C)C(C)N
InChIInChI=1S/C11H20N4O/c1-5-9-10(6-15(4)14-9)13-11(16)7(2)8(3)12/h6-8H,5,12H2,1-4H3,(H,13,16)
InChIKeyNVWPPISMZXXQLB-UHFFFAOYSA-N
XLogP0.90
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide
CID 107463141
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methoxypropanamide
CID 107463127
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methylsulfonylbutanamide
CID 103951288
2-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethylpentanamide
CID 107473003
2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-3,3-dimethylbutanoic acid
CID 107464409
methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 124679700
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 107463267
(3-ethyl-1-methylpyrazol-4-yl)thiourea
CID 107462555
3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 107464100
ethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 104700571
(2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]butanedioic acid
CID 107464180
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide
CID 107463077

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide?
The IUPAC name of 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide (CID 107463044) is 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide?
The canonical SMILES for 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide is CCc1nn(C)cc1NC(=O)C(C)C(C)N.
What is the InChIKey of 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide?
The InChIKey is NVWPPISMZXXQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-5-9-10(6-15(4)14-9)13-11(16)7(2)8(3)12/h6-8H,5,12H2,1-4H3,(H,13,16).
What are the key properties of 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide?
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide has a molecular weight of 224.31 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide is sourced from PubChem (CID 107463044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).