5-[[but-3-en-2-yl(prop-1-enyl)amino]methyl]-1-prop-1-enylpyrazole-4-carboxamide

C15H22N4O — CID 123461812

IUPAC5-[[but-3-en-2-yl(prop-1-enyl)amino]methyl]-1-prop-1-enylpyrazole-4-carboxamide
SMILESC=CC(C)N(C=CC)Cc1c(C(N)=O)cnn1C=CC
InChIInChI=1S/C15H22N4O/c1-5-8-18(12(4)7-3)11-14-13(15(16)20)10-17-19(14)9-6-2/h5-10,12H,3,11H2,1-2,4H3,(H2,16,20)
InChIKeySTFFREXGFJILAV-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.38
Rot. Bonds7

About 5-[[but-3-en-2-yl(prop-1-enyl)amino]methyl]-1-prop-1-enylpyrazole-4-carboxamide

5-[[but-3-en-2-yl(prop-1-enyl)amino]methyl]-1-prop-1-enylpyrazole-4-carboxamide (PubChem CID 123461812) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-[[but-3-en-2-yl(prop-1-enyl)amino]methyl]-1-prop-1-enylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[[but-3-en-2-yl(prop-1-enyl)amino]methyl]-1-prop-1-enylpyrazole-4-carboxamide
PubChem CID123461812
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name5-[[but-3-en-2-yl(prop-1-enyl)amino]methyl]-1-prop-1-enylpyrazole-4-carboxamide
SMILESC=CC(C)N(C=CC)Cc1c(C(N)=O)cnn1C=CC
InChIInChI=1S/C15H22N4O/c1-5-8-18(12(4)7-3)11-14-13(15(16)20)10-17-19(14)9-6-2/h5-10,12H,3,11H2,1-2,4H3,(H2,16,20)
InChIKeySTFFREXGFJILAV-UHFFFAOYSA-N
XLogP2.38
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.38
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 5-[[but-3-en-2-yl(prop-1-enyl)amino]methyl]-1-prop-1-enylpyrazole-4-carboxamide?
The IUPAC name of 5-[[but-3-en-2-yl(prop-1-enyl)amino]methyl]-1-prop-1-enylpyrazole-4-carboxamide (CID 123461812) is 5-[[but-3-en-2-yl(prop-1-enyl)amino]methyl]-1-prop-1-enylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[[but-3-en-2-yl(prop-1-enyl)amino]methyl]-1-prop-1-enylpyrazole-4-carboxamide?
The canonical SMILES for 5-[[but-3-en-2-yl(prop-1-enyl)amino]methyl]-1-prop-1-enylpyrazole-4-carboxamide is C=CC(C)N(C=CC)Cc1c(C(N)=O)cnn1C=CC.
What is the InChIKey of 5-[[but-3-en-2-yl(prop-1-enyl)amino]methyl]-1-prop-1-enylpyrazole-4-carboxamide?
The InChIKey is STFFREXGFJILAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-5-8-18(12(4)7-3)11-14-13(15(16)20)10-17-19(14)9-6-2/h5-10,12H,3,11H2,1-2,4H3,(H2,16,20).
What are the key properties of 5-[[but-3-en-2-yl(prop-1-enyl)amino]methyl]-1-prop-1-enylpyrazole-4-carboxamide?
5-[[but-3-en-2-yl(prop-1-enyl)amino]methyl]-1-prop-1-enylpyrazole-4-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[but-3-en-2-yl(prop-1-enyl)amino]methyl]-1-prop-1-enylpyrazole-4-carboxamide is sourced from PubChem (CID 123461812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).