3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-prop-2-enylpropanamide

C16H28N4O — CID 91841529

IUPAC3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(Cc1c(C)nn(C)c1C)C(C)C
InChIInChI=1S/C16H28N4O/c1-7-9-17-16(21)8-10-20(12(2)3)11-15-13(4)18-19(6)14(15)5/h7,12H,1,8-11H2,2-6H3,(H,17,21)
InChIKeyHZVWXXLBNCSFAY-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.94
Rot. Bonds8

About 3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-prop-2-enylpropanamide

3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-prop-2-enylpropanamide (PubChem CID 91841529) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-prop-2-enylpropanamide
PubChem CID91841529
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(Cc1c(C)nn(C)c1C)C(C)C
InChIInChI=1S/C16H28N4O/c1-7-9-17-16(21)8-10-20(12(2)3)11-15-13(4)18-19(6)14(15)5/h7,12H,1,8-11H2,2-6H3,(H,17,21)
InChIKeyHZVWXXLBNCSFAY-UHFFFAOYSA-N
XLogP1.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-prop-2-enylpropanamide?
The IUPAC name of 3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-prop-2-enylpropanamide (CID 91841529) is 3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-prop-2-enylpropanamide?
The canonical SMILES for 3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-prop-2-enylpropanamide is C=CCNC(=O)CCN(Cc1c(C)nn(C)c1C)C(C)C.
What is the InChIKey of 3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-prop-2-enylpropanamide?
The InChIKey is HZVWXXLBNCSFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-7-9-17-16(21)8-10-20(12(2)3)11-15-13(4)18-19(6)14(15)5/h7,12H,1,8-11H2,2-6H3,(H,17,21).
What are the key properties of 3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-prop-2-enylpropanamide?
3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-prop-2-enylpropanamide has a molecular weight of 292.43 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 91841529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).