(3S)-3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

C18H24N4O2 — CID 97101455

IUPAC(3S)-3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCOc1ccc(C[C@H](C)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1
InChIInChI=1S/C18H24N4O2/c1-13(10-14-4-6-16(24-3)7-5-14)20-17-8-9-22(18(17)23)15-11-19-21(2)12-15/h4-7,11-13,17,20H,8-10H2,1-3H3/t13-,17-/m0/s1
InChIKeyDQLIIJKZTYQKBB-GUYCJALGSA-N
MW328.42 g/mol
LogP1.75
Rot. Bonds6

About (3S)-3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

(3S)-3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 97101455) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (3S)-3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID97101455
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(3S)-3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCOc1ccc(C[C@H](C)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1
InChIInChI=1S/C18H24N4O2/c1-13(10-14-4-6-16(24-3)7-5-14)20-17-8-9-22(18(17)23)15-11-19-21(2)12-15/h4-7,11-13,17,20H,8-10H2,1-3H3/t13-,17-/m0/s1
InChIKeyDQLIIJKZTYQKBB-GUYCJALGSA-N
XLogP1.75
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 97101454
(3R)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 124577010
(3S)-3-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 97101427
N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine
CID 43508797
3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 133389739
N-[1-(4-methoxyphenyl)propan-2-yl]-1-methylpiperidin-3-amine
CID 61210662
3-[1-(3-ethoxyphenyl)ethylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 71870045
(2S)-2-amino-3-methyl-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]butanamide
CID 119330173
1-(1-methylpyrazol-4-yl)-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 133483353
(3S)-1-(3,5-dimethoxyphenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one
CID 124508156
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]cyclopropanamine
CID 82262623
N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine
CID 2846450

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of (3S)-3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (CID 97101455) is (3S)-3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is COc1ccc(C[C@H](C)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1.
What is the InChIKey of (3S)-3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is DQLIIJKZTYQKBB-GUYCJALGSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(10-14-4-6-16(24-3)7-5-14)20-17-8-9-22(18(17)23)15-11-19-21(2)12-15/h4-7,11-13,17,20H,8-10H2,1-3H3/t13-,17-/m0/s1.
What are the key properties of (3S)-3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
(3S)-3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 328.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 97101455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).