N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethyl]cyclopropanecarboxamide

C15H26N4O — CID 115706428

IUPACN-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethyl]cyclopropanecarboxamide
SMILESCCn1nc(C)c(C(C)NCCNC(=O)C2CC2)c1C
InChIInChI=1S/C15H26N4O/c1-5-19-12(4)14(11(3)18-19)10(2)16-8-9-17-15(20)13-6-7-13/h10,13,16H,5-9H2,1-4H3,(H,17,20)
InChIKeyJBBYQPBKRFXYSE-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.70
Rot. Bonds7

About N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethyl]cyclopropanecarboxamide

N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethyl]cyclopropanecarboxamide (PubChem CID 115706428) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethyl]cyclopropanecarboxamide
PubChem CID115706428
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethyl]cyclopropanecarboxamide
SMILESCCn1nc(C)c(C(C)NCCNC(=O)C2CC2)c1C
InChIInChI=1S/C15H26N4O/c1-5-19-12(4)14(11(3)18-19)10(2)16-8-9-17-15(20)13-6-7-13/h10,13,16H,5-9H2,1-4H3,(H,17,20)
InChIKeyJBBYQPBKRFXYSE-UHFFFAOYSA-N
XLogP1.70
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethyl]cyclopropanecarboxamide (CID 115706428) is N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethyl]cyclopropanecarboxamide is CCn1nc(C)c(C(C)NCCNC(=O)C2CC2)c1C.
What is the InChIKey of N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is JBBYQPBKRFXYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-19-12(4)14(11(3)18-19)10(2)16-8-9-17-15(20)13-6-7-13/h10,13,16H,5-9H2,1-4H3,(H,17,20).
What are the key properties of N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethyl]cyclopropanecarboxamide?
N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115706428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).