2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-N,N-bis(prop-2-enyl)acetamide

C15H24N4O — CID 97258467

IUPAC2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN[C@@H](C)c1cn(C)nc1C
InChIInChI=1S/C15H24N4O/c1-6-8-19(9-7-2)15(20)10-16-12(3)14-11-18(5)17-13(14)4/h6-7,11-12,16H,1-2,8-10H2,3-5H3/t12-/m0/s1
InChIKeyVNYDPVJFBZDLEJ-LBPRGKRZSA-N
MW276.38 g/mol
LogP1.58
Rot. Bonds8

About 2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-N,N-bis(prop-2-enyl)acetamide

2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 97258467) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-N,N-bis(prop-2-enyl)acetamide
PubChem CID97258467
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN[C@@H](C)c1cn(C)nc1C
InChIInChI=1S/C15H24N4O/c1-6-8-19(9-7-2)15(20)10-16-12(3)14-11-18(5)17-13(14)4/h6-7,11-12,16H,1-2,8-10H2,3-5H3/t12-/m0/s1
InChIKeyVNYDPVJFBZDLEJ-LBPRGKRZSA-N
XLogP1.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.58
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 2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-N,N-bis(prop-2-enyl)acetamide (CID 97258467) is 2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN[C@@H](C)c1cn(C)nc1C.
What is the InChIKey of 2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is VNYDPVJFBZDLEJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O/c1-6-8-19(9-7-2)15(20)10-16-12(3)14-11-18(5)17-13(14)4/h6-7,11-12,16H,1-2,8-10H2,3-5H3/t12-/m0/s1.
What are the key properties of 2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-N,N-bis(prop-2-enyl)acetamide?
2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 97258467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).