2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole

C19H22N4S — CID 167978552

IUPAC2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole
SMILESCc1cc2n(n1)CCN(c1nc(-c3ccc(C(C)C)cc3)cs1)C2
InChIInChI=1S/C19H22N4S/c1-13(2)15-4-6-16(7-5-15)18-12-24-19(20-18)22-8-9-23-17(11-22)10-14(3)21-23/h4-7,10,12-13H,8-9,11H2,1-3H3
InChIKeyBEDHCFXRDXBTJH-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.46
Rot. Bonds3

About 2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole

2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole (PubChem CID 167978552) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole
PubChem CID167978552
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole
SMILESCc1cc2n(n1)CCN(c1nc(-c3ccc(C(C)C)cc3)cs1)C2
InChIInChI=1S/C19H22N4S/c1-13(2)15-4-6-16(7-5-15)18-12-24-19(20-18)22-8-9-23-17(11-22)10-14(3)21-23/h4-7,10,12-13H,8-9,11H2,1-3H3
InChIKeyBEDHCFXRDXBTJH-UHFFFAOYSA-N
XLogP4.46
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole?
The IUPAC name of 2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole (CID 167978552) is 2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole is Cc1cc2n(n1)CCN(c1nc(-c3ccc(C(C)C)cc3)cs1)C2.
What is the InChIKey of 2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole?
The InChIKey is BEDHCFXRDXBTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-13(2)15-4-6-16(7-5-15)18-12-24-19(20-18)22-8-9-23-17(11-22)10-14(3)21-23/h4-7,10,12-13H,8-9,11H2,1-3H3.
What are the key properties of 2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole?
2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole has a molecular weight of 338.48 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole is sourced from PubChem (CID 167978552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).