7-cyclopropylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C13H17N5O2S — CID 97471182

IUPAC7-cyclopropylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESO=S(=O)(C1CC1)N1CCn2c(Cn3cccn3)cnc2C1
InChIInChI=1S/C13H17N5O2S/c19-21(20,12-2-3-12)17-6-7-18-11(8-14-13(18)10-17)9-16-5-1-4-15-16/h1,4-5,8,12H,2-3,6-7,9-10H2
InChIKeyNQPPRSDJTRZZAN-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.44
Rot. Bonds4

About 7-cyclopropylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-cyclopropylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97471182) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 7-cyclopropylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-cyclopropylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97471182
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name7-cyclopropylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESO=S(=O)(C1CC1)N1CCn2c(Cn3cccn3)cnc2C1
InChIInChI=1S/C13H17N5O2S/c19-21(20,12-2-3-12)17-6-7-18-11(8-14-13(18)10-17)9-16-5-1-4-15-16/h1,4-5,8,12H,2-3,6-7,9-10H2
InChIKeyNQPPRSDJTRZZAN-UHFFFAOYSA-N
XLogP0.44
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-cyclopropylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97471182) is 7-cyclopropylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-cyclopropylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-cyclopropylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is O=S(=O)(C1CC1)N1CCn2c(Cn3cccn3)cnc2C1.
What is the InChIKey of 7-cyclopropylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is NQPPRSDJTRZZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c19-21(20,12-2-3-12)17-6-7-18-11(8-14-13(18)10-17)9-16-5-1-4-15-16/h1,4-5,8,12H,2-3,6-7,9-10H2.
What are the key properties of 7-cyclopropylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-cyclopropylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 307.38 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97471182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).