N-(1,5-dimethylpyrazol-3-yl)-4-(propan-2-ylamino)butanamide

C12H22N4O — CID 114253600

IUPACN-(1,5-dimethylpyrazol-3-yl)-4-(propan-2-ylamino)butanamide
SMILESCc1cc(NC(=O)CCCNC(C)C)nn1C
InChIInChI=1S/C12H22N4O/c1-9(2)13-7-5-6-12(17)14-11-8-10(3)16(4)15-11/h8-9,13H,5-7H2,1-4H3,(H,14,15,17)
InChIKeyXGBOMBQLOQMAER-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.45
Rot. Bonds6

About N-(1,5-dimethylpyrazol-3-yl)-4-(propan-2-ylamino)butanamide

N-(1,5-dimethylpyrazol-3-yl)-4-(propan-2-ylamino)butanamide (PubChem CID 114253600) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-3-yl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-3-yl)-4-(propan-2-ylamino)butanamide
PubChem CID114253600
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-(1,5-dimethylpyrazol-3-yl)-4-(propan-2-ylamino)butanamide
SMILESCc1cc(NC(=O)CCCNC(C)C)nn1C
InChIInChI=1S/C12H22N4O/c1-9(2)13-7-5-6-12(17)14-11-8-10(3)16(4)15-11/h8-9,13H,5-7H2,1-4H3,(H,14,15,17)
InChIKeyXGBOMBQLOQMAER-UHFFFAOYSA-N
XLogP1.45
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.45
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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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-4-(propan-2-ylamino)butanamide (CID 114253600) is N-(1,5-dimethylpyrazol-3-yl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-3-yl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-3-yl)-4-(propan-2-ylamino)butanamide is Cc1cc(NC(=O)CCCNC(C)C)nn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-3-yl)-4-(propan-2-ylamino)butanamide?
The InChIKey is XGBOMBQLOQMAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(2)13-7-5-6-12(17)14-11-8-10(3)16(4)15-11/h8-9,13H,5-7H2,1-4H3,(H,14,15,17).
What are the key properties of N-(1,5-dimethylpyrazol-3-yl)-4-(propan-2-ylamino)butanamide?
N-(1,5-dimethylpyrazol-3-yl)-4-(propan-2-ylamino)butanamide has a molecular weight of 238.33 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-3-yl)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 114253600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).