(5S)-1-methyl-5-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one

C15H21N5O — CID 95889222

IUPAC(5S)-1-methyl-5-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
SMILESCC(C)c1cc(NC[C@@H]2CCC(=O)N2C)n2nccc2n1
InChIInChI=1S/C15H21N5O/c1-10(2)12-8-14(20-13(18-12)6-7-17-20)16-9-11-4-5-15(21)19(11)3/h6-8,10-11,16H,4-5,9H2,1-3H3/t11-/m0/s1
InChIKeyZMPCYVOEAIDMLM-NSHDSACASA-N
MW287.37 g/mol
LogP1.89
Rot. Bonds4

About (5S)-1-methyl-5-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one

(5S)-1-methyl-5-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 95889222) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is (5S)-1-methyl-5-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-methyl-5-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
PubChem CID95889222
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name(5S)-1-methyl-5-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
SMILESCC(C)c1cc(NC[C@@H]2CCC(=O)N2C)n2nccc2n1
InChIInChI=1S/C15H21N5O/c1-10(2)12-8-14(20-13(18-12)6-7-17-20)16-9-11-4-5-15(21)19(11)3/h6-8,10-11,16H,4-5,9H2,1-3H3/t11-/m0/s1
InChIKeyZMPCYVOEAIDMLM-NSHDSACASA-N
XLogP1.89
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S)-1-methyl-5-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-[[(3S)-oxan-3-yl]methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95718973
N-(oxan-3-ylmethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56905068
5-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70772772
5-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70715488
1-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclohexan-1-ol
CID 70730149
2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
CID 56899989
(2S)-2-(4-methoxyphenyl)-1-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
CID 95725588
5-propan-2-yl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56910693
cyclopropyl-[(3S)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
CID 95729043
5-propan-2-yl-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95714013
N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56901706
(2S)-2-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-3-thiophen-3-ylpropan-1-ol
CID 95718721

Frequently Asked Questions

What is the IUPAC name of (5S)-1-methyl-5-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-1-methyl-5-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one (CID 95889222) is (5S)-1-methyl-5-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-methyl-5-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-1-methyl-5-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one is CC(C)c1cc(NC[C@@H]2CCC(=O)N2C)n2nccc2n1.
What is the InChIKey of (5S)-1-methyl-5-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is ZMPCYVOEAIDMLM-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(2)12-8-14(20-13(18-12)6-7-17-20)16-9-11-4-5-15(21)19(11)3/h6-8,10-11,16H,4-5,9H2,1-3H3/t11-/m0/s1.
What are the key properties of (5S)-1-methyl-5-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one?
(5S)-1-methyl-5-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 287.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-methyl-5-[[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 95889222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).