2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethylbutanamide

C14H26N4O — CID 79809789

IUPAC2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1c(C)nn(C(C)C)c1C
InChIInChI=1S/C14H26N4O/c1-7-14(15,8-2)13(19)16-12-10(5)17-18(9(3)4)11(12)6/h9H,7-8,15H2,1-6H3,(H,16,19)
InChIKeyDXDPEIZIGKCBBB-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.54
Rot. Bonds5

About 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethylbutanamide

2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethylbutanamide (PubChem CID 79809789) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethylbutanamide
PubChem CID79809789
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1c(C)nn(C(C)C)c1C
InChIInChI=1S/C14H26N4O/c1-7-14(15,8-2)13(19)16-12-10(5)17-18(9(3)4)11(12)6/h9H,7-8,15H2,1-6H3,(H,16,19)
InChIKeyDXDPEIZIGKCBBB-UHFFFAOYSA-N
XLogP2.54
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethylbutanamide?
The IUPAC name of 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethylbutanamide (CID 79809789) is 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethylbutanamide is CCC(N)(CC)C(=O)Nc1c(C)nn(C(C)C)c1C.
What is the InChIKey of 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethylbutanamide?
The InChIKey is DXDPEIZIGKCBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-7-14(15,8-2)13(19)16-12-10(5)17-18(9(3)4)11(12)6/h9H,7-8,15H2,1-6H3,(H,16,19).
What are the key properties of 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethylbutanamide?
2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethylbutanamide has a molecular weight of 266.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethylbutanamide is sourced from PubChem (CID 79809789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).