4-amino-1-propan-2-yl-5-(1-propylpyrazol-4-yl)pyrrolidin-2-one

C13H22N4O — CID 103573251

IUPAC4-amino-1-propan-2-yl-5-(1-propylpyrazol-4-yl)pyrrolidin-2-one
SMILESCCCn1cc(C2C(N)CC(=O)N2C(C)C)cn1
InChIInChI=1S/C13H22N4O/c1-4-5-16-8-10(7-15-16)13-11(14)6-12(18)17(13)9(2)3/h7-9,11,13H,4-6,14H2,1-3H3
InChIKeyTUNUUHFSEGZIMC-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.30
Rot. Bonds4

About 4-amino-1-propan-2-yl-5-(1-propylpyrazol-4-yl)pyrrolidin-2-one

4-amino-1-propan-2-yl-5-(1-propylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 103573251) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-amino-1-propan-2-yl-5-(1-propylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-propan-2-yl-5-(1-propylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID103573251
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-amino-1-propan-2-yl-5-(1-propylpyrazol-4-yl)pyrrolidin-2-one
SMILESCCCn1cc(C2C(N)CC(=O)N2C(C)C)cn1
InChIInChI=1S/C13H22N4O/c1-4-5-16-8-10(7-15-16)13-11(14)6-12(18)17(13)9(2)3/h7-9,11,13H,4-6,14H2,1-3H3
InChIKeyTUNUUHFSEGZIMC-UHFFFAOYSA-N
XLogP1.30
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5S)-4-amino-1-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
CID 178196683
6-amino-1-ethyl-7-(1-propylpyrazol-4-yl)azepan-2-one
CID 103573255
(4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one
CID 178196676
(4R,5R)-4-amino-5-(2-ethylpyrazol-3-yl)-1-propan-2-ylpyrrolidin-2-one
CID 178196634
4-amino-5-(5-bromo-3-pyridinyl)-1-propan-2-ylpyrrolidin-2-one
CID 113469903
4-amino-5-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one
CID 114239529
4-amino-5-(1,3-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one
CID 83094235
[2-(1-propylpyrazol-4-yl)cyclobutyl]methanamine
CID 81009628
4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole
CID 103573688
4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
CID 82193066
[4-propan-2-yl-3-(1-propylpyrazol-4-yl)morpholin-2-yl]methanamine
CID 103573225
5-(1-propylpyrazol-4-yl)imidazolidine-2,4-dione
CID 103571674

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-propan-2-yl-5-(1-propylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-propan-2-yl-5-(1-propylpyrazol-4-yl)pyrrolidin-2-one (CID 103573251) is 4-amino-1-propan-2-yl-5-(1-propylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-propan-2-yl-5-(1-propylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-propan-2-yl-5-(1-propylpyrazol-4-yl)pyrrolidin-2-one is CCCn1cc(C2C(N)CC(=O)N2C(C)C)cn1.
What is the InChIKey of 4-amino-1-propan-2-yl-5-(1-propylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is TUNUUHFSEGZIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-5-16-8-10(7-15-16)13-11(14)6-12(18)17(13)9(2)3/h7-9,11,13H,4-6,14H2,1-3H3.
What are the key properties of 4-amino-1-propan-2-yl-5-(1-propylpyrazol-4-yl)pyrrolidin-2-one?
4-amino-1-propan-2-yl-5-(1-propylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 250.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-propan-2-yl-5-(1-propylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 103573251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).