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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Related Compounds

N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 47331709
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 56820931
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine;hydrochloride
CID 47331708
3-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 54593500
1-[(2S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 95582588
N-methyl-N-[(3-methyl-1H-pyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 132420402
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710950
4-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 75472285
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78960608
2-amino-3,3,3-trifluoro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 79811435
(4R)-4-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 97337699
(4S)-4-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 97337700

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).