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

C14H18N4S — CID 119103626

IUPAC4-[(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCn3nc(C4CC4)cc3C2)cs1
InChIInChI=1S/C14H18N4S/c1-10-15-12(9-19-10)7-17-4-5-18-13(8-17)6-14(16-18)11-2-3-11/h6,9,11H,2-5,7-8H2,1H3
InChIKeyPMRDRODWNPMXHB-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.54
Rot. Bonds3

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

4-[(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methyl]-2-methyl-1,3-thiazole (PubChem CID 119103626) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-[(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methyl]-2-methyl-1,3-thiazole
PubChem CID119103626
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name4-[(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCn3nc(C4CC4)cc3C2)cs1
InChIInChI=1S/C14H18N4S/c1-10-15-12(9-19-10)7-17-4-5-18-13(8-17)6-14(16-18)11-2-3-11/h6,9,11H,2-5,7-8H2,1H3
InChIKeyPMRDRODWNPMXHB-UHFFFAOYSA-N
XLogP2.54
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methyl]-2-methyl-1,3-thiazole (CID 119103626) is 4-[(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methyl]-2-methyl-1,3-thiazole is Cc1nc(CN2CCn3nc(C4CC4)cc3C2)cs1.
What is the InChIKey of 4-[(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methyl]-2-methyl-1,3-thiazole?
The InChIKey is PMRDRODWNPMXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-10-15-12(9-19-10)7-17-4-5-18-13(8-17)6-14(16-18)11-2-3-11/h6,9,11H,2-5,7-8H2,1H3.
What are the key properties of 4-[(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methyl]-2-methyl-1,3-thiazole?
4-[(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methyl]-2-methyl-1,3-thiazole has a molecular weight of 274.39 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 119103626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).