5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-oxazole-4-carboxamide

C14H19N5O2 — CID 74240569

IUPAC5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)NCc1cc2n(n1)CCNC2
InChIInChI=1S/C14H19N5O2/c1-9(2)13-12(17-8-21-13)14(20)16-6-10-5-11-7-15-3-4-19(11)18-10/h5,8-9,15H,3-4,6-7H2,1-2H3,(H,16,20)
InChIKeyQTQGHSKMZHQWNK-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.03
Rot. Bonds4

About 5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-oxazole-4-carboxamide

5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 74240569) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID74240569
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)NCc1cc2n(n1)CCNC2
InChIInChI=1S/C14H19N5O2/c1-9(2)13-12(17-8-21-13)14(20)16-6-10-5-11-7-15-3-4-19(11)18-10/h5,8-9,15H,3-4,6-7H2,1-2H3,(H,16,20)
InChIKeyQTQGHSKMZHQWNK-UHFFFAOYSA-N
XLogP1.03
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-oxazole-4-carboxamide (CID 74240569) is 5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-oxazole-4-carboxamide is CC(C)c1ocnc1C(=O)NCc1cc2n(n1)CCNC2.
What is the InChIKey of 5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is QTQGHSKMZHQWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9(2)13-12(17-8-21-13)14(20)16-6-10-5-11-7-15-3-4-19(11)18-10/h5,8-9,15H,3-4,6-7H2,1-2H3,(H,16,20).
What are the key properties of 5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 74240569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).