(4R,5S)-1-methyl-4-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one

C17H26N6O — CID 129338780

IUPAC(4R,5S)-1-methyl-4-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1[C@H]1[C@H](N[C@H](C)Cn2cccn2)CC(=O)N1C
InChIInChI=1S/C17H26N6O/c1-11(10-23-8-6-7-18-23)19-14-9-15(24)21(4)17(14)16-12(2)20-22(5)13(16)3/h6-8,11,14,17,19H,9-10H2,1-5H3/t11-,14-,17-/m1/s1
InChIKeyUXKVSOCKMNXRBW-JDSLSITLSA-N
MW330.44 g/mol
LogP1.18
Rot. Bonds5

About (4R,5S)-1-methyl-4-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one

(4R,5S)-1-methyl-4-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 129338780) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is (4R,5S)-1-methyl-4-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-1-methyl-4-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID129338780
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name(4R,5S)-1-methyl-4-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1[C@H]1[C@H](N[C@H](C)Cn2cccn2)CC(=O)N1C
InChIInChI=1S/C17H26N6O/c1-11(10-23-8-6-7-18-23)19-14-9-15(24)21(4)17(14)16-12(2)20-22(5)13(16)3/h6-8,11,14,17,19H,9-10H2,1-5H3/t11-,14-,17-/m1/s1
InChIKeyUXKVSOCKMNXRBW-JDSLSITLSA-N
XLogP1.18
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R,5S)-1-methyl-4-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-1-methyl-4-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of (4R,5S)-1-methyl-4-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (CID 129338780) is (4R,5S)-1-methyl-4-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-1-methyl-4-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for (4R,5S)-1-methyl-4-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one is Cc1nn(C)c(C)c1[C@H]1[C@H](N[C@H](C)Cn2cccn2)CC(=O)N1C.
What is the InChIKey of (4R,5S)-1-methyl-4-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is UXKVSOCKMNXRBW-JDSLSITLSA-N. The full InChI is InChI=1S/C17H26N6O/c1-11(10-23-8-6-7-18-23)19-14-9-15(24)21(4)17(14)16-12(2)20-22(5)13(16)3/h6-8,11,14,17,19H,9-10H2,1-5H3/t11-,14-,17-/m1/s1.
What are the key properties of (4R,5S)-1-methyl-4-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
(4R,5S)-1-methyl-4-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 330.44 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-1-methyl-4-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 129338780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).