2-[(2S)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C20H25F3N6 — CID 92553385

IUPAC2-[(2S)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3Cc3cn[nH]c3C(C)(C)C)cc2n1
InChIInChI=1S/C20H25F3N6/c1-12-8-16(20(21,22)23)29-17(25-12)9-14(27-29)15-6-5-7-28(15)11-13-10-24-26-18(13)19(2,3)4/h8-10,15H,5-7,11H2,1-4H3,(H,24,26)/t15-/m0/s1
InChIKeyAAZSVDJCHHPSAG-HNNXBMFYSA-N
MW406.46 g/mol
LogP4.41
Rot. Bonds3

About 2-[(2S)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

2-[(2S)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 92553385) has the molecular formula C20H25F3N6 and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-[(2S)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-[(2S)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID92553385
Molecular FormulaC20H25F3N6
Molecular Weight406.46 g/mol
Exact Mass406.21
IUPAC Name2-[(2S)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3Cc3cn[nH]c3C(C)(C)C)cc2n1
InChIInChI=1S/C20H25F3N6/c1-12-8-16(20(21,22)23)29-17(25-12)9-14(27-29)15-6-5-7-28(15)11-13-10-24-26-18(13)19(2,3)4/h8-10,15H,5-7,11H2,1-4H3,(H,24,26)/t15-/m0/s1
InChIKeyAAZSVDJCHHPSAG-HNNXBMFYSA-N
XLogP4.41
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 46955698
2,6-dimethyl-4-[[(2S)-2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methyl]phenol
CID 95849563
[2-methoxy-5-[[(2R)-2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methyl]phenyl]methanol
CID 92553389
(5R,7R)-2-[(2S)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136734883
[2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110222467
5-ethyl-2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171670567
2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 45189094
3-(2-methylimidazol-1-yl)-1-[2-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 110222380
(5S)-5-[(2R)-2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 92580950
1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazine
CID 92619631
1-ethyl-4-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 110238602
2-[(3S)-1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 92553458

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-[(2S)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 92553385) is 2-[(2S)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-[(2S)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-[(2S)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3Cc3cn[nH]c3C(C)(C)C)cc2n1.
What is the InChIKey of 2-[(2S)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is AAZSVDJCHHPSAG-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25F3N6/c1-12-8-16(20(21,22)23)29-17(25-12)9-14(27-29)15-6-5-7-28(15)11-13-10-24-26-18(13)19(2,3)4/h8-10,15H,5-7,11H2,1-4H3,(H,24,26)/t15-/m0/s1.
What are the key properties of 2-[(2S)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-[(2S)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 406.46 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 92553385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).