1-(4-fluorophenyl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]ethanol

C19H21FN4O — CID 122139001

IUPAC1-(4-fluorophenyl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]ethanol
SMILESCc1cc2c(N3CCCC3CC(O)c3ccc(F)cc3)nccn2n1
InChIInChI=1S/C19H21FN4O/c1-13-11-17-19(21-8-10-24(17)22-13)23-9-2-3-16(23)12-18(25)14-4-6-15(20)7-5-14/h4-8,10-11,16,18,25H,2-3,9,12H2,1H3
InChIKeyMQTIGGIVGDDVNY-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.27
Rot. Bonds4

About 1-(4-fluorophenyl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]ethanol

1-(4-fluorophenyl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]ethanol (PubChem CID 122139001) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]ethanol
PubChem CID122139001
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name1-(4-fluorophenyl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]ethanol
SMILESCc1cc2c(N3CCCC3CC(O)c3ccc(F)cc3)nccn2n1
InChIInChI=1S/C19H21FN4O/c1-13-11-17-19(21-8-10-24(17)22-13)23-9-2-3-16(23)12-18(25)14-4-6-15(20)7-5-14/h4-8,10-11,16,18,25H,2-3,9,12H2,1H3
InChIKeyMQTIGGIVGDDVNY-UHFFFAOYSA-N
XLogP3.27
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]ethanol (CID 122139001) is 1-(4-fluorophenyl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]ethanol is Cc1cc2c(N3CCCC3CC(O)c3ccc(F)cc3)nccn2n1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]ethanol?
The InChIKey is MQTIGGIVGDDVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-13-11-17-19(21-8-10-24(17)22-13)23-9-2-3-16(23)12-18(25)14-4-6-15(20)7-5-14/h4-8,10-11,16,18,25H,2-3,9,12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]ethanol?
1-(4-fluorophenyl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]ethanol has a molecular weight of 340.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 122139001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).