(2-methylcyclopropyl)-[3-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone

C21H21F3N4OS — CID 110238469

IUPAC(2-methylcyclopropyl)-[3-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCC1CC1C(=O)N1CCCC(c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1
InChIInChI=1S/C21H21F3N4OS/c1-12-8-14(12)20(29)27-6-2-4-13(11-27)15-10-19-25-16(17-5-3-7-30-17)9-18(21(22,23)24)28(19)26-15/h3,5,7,9-10,12-14H,2,4,6,8,11H2,1H3
InChIKeyGYBUWOUBRRBJJT-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.84
Rot. Bonds3

About (2-methylcyclopropyl)-[3-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone

(2-methylcyclopropyl)-[3-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone (PubChem CID 110238469) has the molecular formula C21H21F3N4OS and a molecular weight of 434.49 g/mol. Its IUPAC name is (2-methylcyclopropyl)-[3-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylcyclopropyl)-[3-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
PubChem CID110238469
Molecular FormulaC21H21F3N4OS
Molecular Weight434.49 g/mol
Exact Mass434.14
IUPAC Name(2-methylcyclopropyl)-[3-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCC1CC1C(=O)N1CCCC(c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1
InChIInChI=1S/C21H21F3N4OS/c1-12-8-14(12)20(29)27-6-2-4-13(11-27)15-10-19-25-16(17-5-3-7-30-17)9-18(21(22,23)24)28(19)26-15/h3,5,7,9-10,12-14H,2,4,6,8,11H2,1H3
InChIKeyGYBUWOUBRRBJJT-UHFFFAOYSA-N
XLogP4.84
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R,2S)-2-methylcyclopropyl]-[(2R)-2-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92583473
3-methoxy-1-[(3S)-3-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 51599135
2-(1-methylsulfonylpyrrolidin-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 110222409
N,N-dicyclohexyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19575350
[3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110238477
[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-[(3R)-3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92553430
[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 51548437
(3,5-dimethylpyrazol-1-yl)-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 4771724
[3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone
CID 5008831
N'-(furan-2-carbonyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 1043290
3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 68953040
(2-methylpyrazol-3-yl)-[(3R)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92566235

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)-[3-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-methylcyclopropyl)-[3-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone (CID 110238469) is (2-methylcyclopropyl)-[3-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylcyclopropyl)-[3-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methylcyclopropyl)-[3-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone is CC1CC1C(=O)N1CCCC(c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1.
What is the InChIKey of (2-methylcyclopropyl)-[3-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone?
The InChIKey is GYBUWOUBRRBJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4OS/c1-12-8-14(12)20(29)27-6-2-4-13(11-27)15-10-19-25-16(17-5-3-7-30-17)9-18(21(22,23)24)28(19)26-15/h3,5,7,9-10,12-14H,2,4,6,8,11H2,1H3.
What are the key properties of (2-methylcyclopropyl)-[3-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone?
(2-methylcyclopropyl)-[3-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone has a molecular weight of 434.49 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)-[3-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110238469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).