2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone

C14H24N4O — CID 47331643

IUPAC2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone
SMILESCC(C)(C)c1[nH]ncc1CNCC(=O)N1CCCC1
InChIInChI=1S/C14H24N4O/c1-14(2,3)13-11(9-16-17-13)8-15-10-12(19)18-6-4-5-7-18/h9,15H,4-8,10H2,1-3H3,(H,16,17)
InChIKeyPFHCSEFSORRUII-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.42
Rot. Bonds4

About 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone

2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 47331643) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID47331643
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone
SMILESCC(C)(C)c1[nH]ncc1CNCC(=O)N1CCCC1
InChIInChI=1S/C14H24N4O/c1-14(2,3)13-11(9-16-17-13)8-15-10-12(19)18-6-4-5-7-18/h9,15H,4-8,10H2,1-3H3,(H,16,17)
InChIKeyPFHCSEFSORRUII-UHFFFAOYSA-N
XLogP1.42
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone (CID 47331643) is 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone is CC(C)(C)c1[nH]ncc1CNCC(=O)N1CCCC1.
What is the InChIKey of 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is PFHCSEFSORRUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,3)13-11(9-16-17-13)8-15-10-12(19)18-6-4-5-7-18/h9,15H,4-8,10H2,1-3H3,(H,16,17).
What are the key properties of 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone?
2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 264.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 47331643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).