[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

C19H24N6OS — CID 95211626

IUPAC[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCC[C@H]3c3nccs3)cnn2c1
InChIInChI=1S/C19H24N6OS/c1-3-23(4-2)12-14-10-21-17-15(11-22-25(17)13-14)19(26)24-8-5-6-16(24)18-20-7-9-27-18/h7,9-11,13,16H,3-6,8,12H2,1-2H3/t16-/m0/s1
InChIKeyKFJHVQTVTIOVJH-INIZCTEOSA-N
MW384.51 g/mol
LogP3.00
Rot. Bonds6

About [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 95211626) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID95211626
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC Name[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCC[C@H]3c3nccs3)cnn2c1
InChIInChI=1S/C19H24N6OS/c1-3-23(4-2)12-14-10-21-17-15(11-22-25(17)13-14)19(26)24-8-5-6-16(24)18-20-7-9-27-18/h7,9-11,13,16H,3-6,8,12H2,1-2H3/t16-/m0/s1
InChIKeyKFJHVQTVTIOVJH-INIZCTEOSA-N
XLogP3.00
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 95229392
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-propylpyrrolidin-1-yl]methanone
CID 95199911
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 56702644
azonan-1-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 56711222
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95204288
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone
CID 95189989
4-azaspiro[2.5]octan-4-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 56712838
6-(diethylaminomethyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95191738
6-(diethylaminomethyl)-N,N-diethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56702378
6-(diethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56758971
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-ethylpiperazin-1-yl)methanone
CID 56704782
(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 51548406

Frequently Asked Questions

What is the IUPAC name of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (CID 95211626) is [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is CCN(CC)Cc1cnc2c(C(=O)N3CCC[C@H]3c3nccs3)cnn2c1.
What is the InChIKey of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is KFJHVQTVTIOVJH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-3-23(4-2)12-14-10-21-17-15(11-22-25(17)13-14)19(26)24-8-5-6-16(24)18-20-7-9-27-18/h7,9-11,13,16H,3-6,8,12H2,1-2H3/t16-/m0/s1.
What are the key properties of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 384.51 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95211626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).