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

C11H20N4O — CID 107463141

IUPAC2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide
SMILESCCc1nn(C)cc1NC(=O)C(N)C(C)C
InChIInChI=1S/C11H20N4O/c1-5-8-9(6-15(4)14-8)13-11(16)10(12)7(2)3/h6-7,10H,5,12H2,1-4H3,(H,13,16)
InChIKeySUVANBHTGUDRMT-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.90
Rot. Bonds4

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

2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide (PubChem CID 107463141) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide
PubChem CID107463141
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide
SMILESCCc1nn(C)cc1NC(=O)C(N)C(C)C
InChIInChI=1S/C11H20N4O/c1-5-8-9(6-15(4)14-8)13-11(16)10(12)7(2)3/h6-7,10H,5,12H2,1-4H3,(H,13,16)
InChIKeySUVANBHTGUDRMT-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

3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide
CID 107463044
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
CID 103796990
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methoxypropanamide
CID 107463127
2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-3,3-dimethylbutanoic acid
CID 107464409
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
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide?
The IUPAC name of 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide (CID 107463141) is 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide?
The canonical SMILES for 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide is CCc1nn(C)cc1NC(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide?
The InChIKey is SUVANBHTGUDRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-5-8-9(6-15(4)14-8)13-11(16)10(12)7(2)3/h6-7,10H,5,12H2,1-4H3,(H,13,16).
What are the key properties of 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide?
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-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 2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide is sourced from PubChem (CID 107463141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).