2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N-prop-2-enylacetamide

C11H18N4O — CID 115919834

IUPAC2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNCc1c(C)n[nH]c1C
InChIInChI=1S/C11H18N4O/c1-4-5-13-11(16)7-12-6-10-8(2)14-15-9(10)3/h4,12H,1,5-7H2,2-3H3,(H,13,16)(H,14,15)
InChIKeyKWMNROLPOCDDOV-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.42
Rot. Bonds6

About 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N-prop-2-enylacetamide

2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N-prop-2-enylacetamide (PubChem CID 115919834) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N-prop-2-enylacetamide
PubChem CID115919834
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNCc1c(C)n[nH]c1C
InChIInChI=1S/C11H18N4O/c1-4-5-13-11(16)7-12-6-10-8(2)14-15-9(10)3/h4,12H,1,5-7H2,2-3H3,(H,13,16)(H,14,15)
InChIKeyKWMNROLPOCDDOV-UHFFFAOYSA-N
XLogP0.42
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N-prop-2-enylacetamide (CID 115919834) is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N-prop-2-enylacetamide is C=CCNC(=O)CNCc1c(C)n[nH]c1C.
What is the InChIKey of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N-prop-2-enylacetamide?
The InChIKey is KWMNROLPOCDDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-4-5-13-11(16)7-12-6-10-8(2)14-15-9(10)3/h4,12H,1,5-7H2,2-3H3,(H,13,16)(H,14,15).
What are the key properties of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N-prop-2-enylacetamide?
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N-prop-2-enylacetamide has a molecular weight of 222.29 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N-prop-2-enylacetamide is sourced from PubChem (CID 115919834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).