(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C18H22N6O — CID 95978525

IUPAC(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccn2ncc(C(=O)N3CCC[C@@H]3c3c(C)nn(C)c3C)c2n1
InChIInChI=1S/C18H22N6O/c1-11-7-9-24-17(20-11)14(10-19-24)18(25)23-8-5-6-15(23)16-12(2)21-22(4)13(16)3/h7,9-10,15H,5-6,8H2,1-4H3/t15-/m1/s1
InChIKeyJEDFHVQOIZPHDT-OAHLLOKOSA-N
MW338.42 g/mol
LogP2.37
Rot. Bonds2

About (5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 95978525) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is (5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID95978525
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccn2ncc(C(=O)N3CCC[C@@H]3c3c(C)nn(C)c3C)c2n1
InChIInChI=1S/C18H22N6O/c1-11-7-9-24-17(20-11)14(10-19-24)18(25)23-8-5-6-15(23)16-12(2)21-22(4)13(16)3/h7,9-10,15H,5-6,8H2,1-4H3/t15-/m1/s1
InChIKeyJEDFHVQOIZPHDT-OAHLLOKOSA-N
XLogP2.37
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 95326216
(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 128969759
1,6-dimethyl-3-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 95735764
(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 99828566
[2-(aminomethyl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 119467896
(5-chloro-2-pyridinyl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 136526675
(3S)-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid
CID 119173783
N-(6-methyl-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 75507962
5,6,7,8-tetrahydronaphthalen-2-yl-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 124547432
2-(4-chloropyrazol-1-yl)-2-methyl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95606196
1H-indol-6-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95978425
1-benzofuran-2-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95978326

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 95978525) is (5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone is Cc1ccn2ncc(C(=O)N3CCC[C@@H]3c3c(C)nn(C)c3C)c2n1.
What is the InChIKey of (5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is JEDFHVQOIZPHDT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N6O/c1-11-7-9-24-17(20-11)14(10-19-24)18(25)23-8-5-6-15(23)16-12(2)21-22(4)13(16)3/h7,9-10,15H,5-6,8H2,1-4H3/t15-/m1/s1.
What are the key properties of (5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 338.42 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95978525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).