1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]pyrrolidin-2-one

C16H20N4O — CID 43679653

IUPAC1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]pyrrolidin-2-one
SMILESCc1n[nH]c(C)c1CNc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H20N4O/c1-11-15(12(2)19-18-11)10-17-13-5-7-14(8-6-13)20-9-3-4-16(20)21/h5-8,17H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyYFYDIAVYEOBPMM-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.77
Rot. Bonds4

About 1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]pyrrolidin-2-one

1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]pyrrolidin-2-one (PubChem CID 43679653) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]pyrrolidin-2-one
PubChem CID43679653
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]pyrrolidin-2-one
SMILESCc1n[nH]c(C)c1CNc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H20N4O/c1-11-15(12(2)19-18-11)10-17-13-5-7-14(8-6-13)20-9-3-4-16(20)21/h5-8,17H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyYFYDIAVYEOBPMM-UHFFFAOYSA-N
XLogP2.77
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylaniline
CID 43644963
1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one
CID 62758405
1-[4-[(1-ethylpyrrol-3-yl)methylamino]phenyl]pyrrolidin-2-one
CID 66398416
1-[4-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43679622
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 43644801
1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one
CID 43679619
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
N-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939268
5-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one
CID 43709019
1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43229073
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethoxy)aniline
CID 43644812

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]pyrrolidin-2-one (CID 43679653) is 1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]pyrrolidin-2-one is Cc1n[nH]c(C)c1CNc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]pyrrolidin-2-one?
The InChIKey is YFYDIAVYEOBPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-15(12(2)19-18-11)10-17-13-5-7-14(8-6-13)20-9-3-4-16(20)21/h5-8,17H,3-4,9-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]pyrrolidin-2-one?
1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]pyrrolidin-2-one has a molecular weight of 284.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 43679653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).