1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(propan-2-ylamino)pyrrolidin-2-one

C15H26N4O — CID 114541352

IUPAC1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(propan-2-ylamino)pyrrolidin-2-one
SMILESCc1cc(C)n(CCCN2CCC(NC(C)C)C2=O)n1
InChIInChI=1S/C15H26N4O/c1-11(2)16-14-6-9-18(15(14)20)7-5-8-19-13(4)10-12(3)17-19/h10-11,14,16H,5-9H2,1-4H3
InChIKeyNSNTUYGVCUJMLT-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.49
Rot. Bonds6

About 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(propan-2-ylamino)pyrrolidin-2-one

1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(propan-2-ylamino)pyrrolidin-2-one (PubChem CID 114541352) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(propan-2-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(propan-2-ylamino)pyrrolidin-2-one
PubChem CID114541352
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(propan-2-ylamino)pyrrolidin-2-one
SMILESCc1cc(C)n(CCCN2CCC(NC(C)C)C2=O)n1
InChIInChI=1S/C15H26N4O/c1-11(2)16-14-6-9-18(15(14)20)7-5-8-19-13(4)10-12(3)17-19/h10-11,14,16H,5-9H2,1-4H3
InChIKeyNSNTUYGVCUJMLT-UHFFFAOYSA-N
XLogP1.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one
CID 106305745
3-(propan-2-ylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 79237666
(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 26407076
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one
CID 114134726
1-cyclobutyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propan-2-amine
CID 115706636
4-(3,5-dimethylpyrazol-1-yl)-1-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]butan-1-one
CID 70732290
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536339
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,1-dioxothian-4-amine
CID 114536309
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide
CID 115575262
(3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42593598
2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 115574328
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(propan-2-ylamino)pyrrolidin-2-one?
The IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(propan-2-ylamino)pyrrolidin-2-one (CID 114541352) is 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(propan-2-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(propan-2-ylamino)pyrrolidin-2-one?
The canonical SMILES for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(propan-2-ylamino)pyrrolidin-2-one is Cc1cc(C)n(CCCN2CCC(NC(C)C)C2=O)n1.
What is the InChIKey of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(propan-2-ylamino)pyrrolidin-2-one?
The InChIKey is NSNTUYGVCUJMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)16-14-6-9-18(15(14)20)7-5-8-19-13(4)10-12(3)17-19/h10-11,14,16H,5-9H2,1-4H3.
What are the key properties of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(propan-2-ylamino)pyrrolidin-2-one?
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(propan-2-ylamino)pyrrolidin-2-one has a molecular weight of 278.40 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(propan-2-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 114541352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).