N-propyl-N-prop-2-ynyl-2-pyrazol-1-ylpropanamide

C12H17N3O — CID 78971099

IUPACN-propyl-N-prop-2-ynyl-2-pyrazol-1-ylpropanamide
SMILESC#CCN(CCC)C(=O)C(C)n1cccn1
InChIInChI=1S/C12H17N3O/c1-4-8-14(9-5-2)12(16)11(3)15-10-6-7-13-15/h1,6-7,10-11H,5,8-9H2,2-3H3
InChIKeyKUMOICUAVURJMY-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.32
Rot. Bonds5

About N-propyl-N-prop-2-ynyl-2-pyrazol-1-ylpropanamide

N-propyl-N-prop-2-ynyl-2-pyrazol-1-ylpropanamide (PubChem CID 78971099) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-propyl-N-prop-2-ynyl-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-propyl-N-prop-2-ynyl-2-pyrazol-1-ylpropanamide
PubChem CID78971099
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-propyl-N-prop-2-ynyl-2-pyrazol-1-ylpropanamide
SMILESC#CCN(CCC)C(=O)C(C)n1cccn1
InChIInChI=1S/C12H17N3O/c1-4-8-14(9-5-2)12(16)11(3)15-10-6-7-13-15/h1,6-7,10-11H,5,8-9H2,2-3H3
InChIKeyKUMOICUAVURJMY-UHFFFAOYSA-N
XLogP1.32
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-prop-2-ynyl-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-propyl-N-prop-2-ynyl-2-pyrazol-1-ylpropanamide (CID 78971099) is N-propyl-N-prop-2-ynyl-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-propyl-N-prop-2-ynyl-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-propyl-N-prop-2-ynyl-2-pyrazol-1-ylpropanamide is C#CCN(CCC)C(=O)C(C)n1cccn1.
What is the InChIKey of N-propyl-N-prop-2-ynyl-2-pyrazol-1-ylpropanamide?
The InChIKey is KUMOICUAVURJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-4-8-14(9-5-2)12(16)11(3)15-10-6-7-13-15/h1,6-7,10-11H,5,8-9H2,2-3H3.
What are the key properties of N-propyl-N-prop-2-ynyl-2-pyrazol-1-ylpropanamide?
N-propyl-N-prop-2-ynyl-2-pyrazol-1-ylpropanamide has a molecular weight of 219.29 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-prop-2-ynyl-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 78971099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).