7-cyclopropyl-2-ethylsulfonyl-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine

C18H16F5N5O3S — CID 165394036

IUPAC7-cyclopropyl-2-ethylsulfonyl-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESCCS(=O)(=O)c1nn2c(C3CC3)ccnc2c1-c1cnc(OCC(F)(F)C(F)(F)F)cn1
InChIInChI=1S/C18H16F5N5O3S/c1-2-32(29,30)16-14(15-24-6-5-12(10-3-4-10)28(15)27-16)11-7-26-13(8-25-11)31-9-17(19,20)18(21,22)23/h5-8,10H,2-4,9H2,1H3
InChIKeyWCUNDSMPTZFWGD-UHFFFAOYSA-N
MW477.42 g/mol
LogP3.43
Rot. Bonds7

About 7-cyclopropyl-2-ethylsulfonyl-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine

7-cyclopropyl-2-ethylsulfonyl-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 165394036) has the molecular formula C18H16F5N5O3S and a molecular weight of 477.42 g/mol. Its IUPAC name is 7-cyclopropyl-2-ethylsulfonyl-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-cyclopropyl-2-ethylsulfonyl-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID165394036
Molecular FormulaC18H16F5N5O3S
Molecular Weight477.42 g/mol
Exact Mass477.09
IUPAC Name7-cyclopropyl-2-ethylsulfonyl-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESCCS(=O)(=O)c1nn2c(C3CC3)ccnc2c1-c1cnc(OCC(F)(F)C(F)(F)F)cn1
InChIInChI=1S/C18H16F5N5O3S/c1-2-32(29,30)16-14(15-24-6-5-12(10-3-4-10)28(15)27-16)11-7-26-13(8-25-11)31-9-17(19,20)18(21,22)23/h5-8,10H,2-4,9H2,1H3
InChIKeyWCUNDSMPTZFWGD-UHFFFAOYSA-N
XLogP3.43
TPSA99.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethylsulfonyl-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 165394081
N-(cyclopropylmethyl)-2-ethylsulfonyl-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 165394079
2-ethylsulfonyl-7-(4-fluorophenyl)-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 165394090
3-(7-cyclopropyl-2-ethylsulfonylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-one
CID 165394098
7-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 177235949
2-ethylsulfonyl-3-[6-(2,2,3,3,3-pentafluoropropoxy)pyridazin-3-yl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 177236202
N-(1-cyclopropylethyl)-2-ethylsulfonyl-3-[8-(2,2,3,3,3-pentafluoropropoxy)imidazo[1,5-a]pyrazin-3-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 177236097
[7-cyclopropyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-imino-oxo-λ6-sulfane
CID 177235854
2-ethylsulfonyl-1-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]ethanone
CID 140928213
5-ethylsulfonyl-3-(4-fluorophenyl)-6-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]-1H-pyridin-2-one
CID 140928203
N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide
CID 177235986
[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]cyanamide
CID 177235768

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-2-ethylsulfonyl-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-cyclopropyl-2-ethylsulfonyl-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine (CID 165394036) is 7-cyclopropyl-2-ethylsulfonyl-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-cyclopropyl-2-ethylsulfonyl-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-cyclopropyl-2-ethylsulfonyl-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine is CCS(=O)(=O)c1nn2c(C3CC3)ccnc2c1-c1cnc(OCC(F)(F)C(F)(F)F)cn1.
What is the InChIKey of 7-cyclopropyl-2-ethylsulfonyl-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is WCUNDSMPTZFWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F5N5O3S/c1-2-32(29,30)16-14(15-24-6-5-12(10-3-4-10)28(15)27-16)11-7-26-13(8-25-11)31-9-17(19,20)18(21,22)23/h5-8,10H,2-4,9H2,1H3.
What are the key properties of 7-cyclopropyl-2-ethylsulfonyl-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine?
7-cyclopropyl-2-ethylsulfonyl-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 477.42 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-2-ethylsulfonyl-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 165394036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).