(3S)-N-ethyl-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide

C16H23N5O — CID 95861950

IUPAC(3S)-N-ethyl-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCN(c2cc(C)nc3c(C)c(C)nn23)C1
InChIInChI=1S/C16H23N5O/c1-5-17-16(22)13-6-7-20(9-13)14-8-10(2)18-15-11(3)12(4)19-21(14)15/h8,13H,5-7,9H2,1-4H3,(H,17,22)/t13-/m0/s1
InChIKeyVHDISBTUMNVLDV-ZDUSSCGKSA-N
MW301.39 g/mol
LogP1.62
Rot. Bonds3

About (3S)-N-ethyl-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide

(3S)-N-ethyl-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide (PubChem CID 95861950) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (3S)-N-ethyl-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
PubChem CID95861950
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(3S)-N-ethyl-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCN(c2cc(C)nc3c(C)c(C)nn23)C1
InChIInChI=1S/C16H23N5O/c1-5-17-16(22)13-6-7-20(9-13)14-8-10(2)18-15-11(3)12(4)19-21(14)15/h8,13H,5-7,9H2,1-4H3,(H,17,22)/t13-/m0/s1
InChIKeyVHDISBTUMNVLDV-ZDUSSCGKSA-N
XLogP1.62
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]acetamide
CID 70753874
N-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanesulfonamide
CID 70710220
(9aS)-2-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 56893403
1-(5-chloro-6-methyl-2-pyridinyl)-N-ethylpyrrolidine-3-carboxamide
CID 134711282
7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine;dihydrochloride
CID 154894543
N-ethyl-1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)pyrrolidine-3-carboxamide
CID 176503247
N-ethyl-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 20893044
(3S)-1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 95868489
N-cyclopropyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
CID 166602280
1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpyrrolidin-3-amine
CID 70778203
cyclohexyl-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 56890932
1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-cyclopentylpiperidine-4-carboxamide
CID 20861632

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-ethyl-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide (CID 95861950) is (3S)-N-ethyl-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-ethyl-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide is CCNC(=O)[C@H]1CCN(c2cc(C)nc3c(C)c(C)nn23)C1.
What is the InChIKey of (3S)-N-ethyl-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide?
The InChIKey is VHDISBTUMNVLDV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O/c1-5-17-16(22)13-6-7-20(9-13)14-8-10(2)18-15-11(3)12(4)19-21(14)15/h8,13H,5-7,9H2,1-4H3,(H,17,22)/t13-/m0/s1.
What are the key properties of (3S)-N-ethyl-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide?
(3S)-N-ethyl-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 95861950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).