4,4-dimethyl-1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentan-2-ol

C16H26N4O — CID 107153114

IUPAC4,4-dimethyl-1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentan-2-ol
SMILESCC(C)c1cc2c(NCC(O)CC(C)(C)C)nccn2n1
InChIInChI=1S/C16H26N4O/c1-11(2)13-8-14-15(17-6-7-20(14)19-13)18-10-12(21)9-16(3,4)5/h6-8,11-12,21H,9-10H2,1-5H3,(H,17,18)
InChIKeyBFWHQVHTOMYTRU-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.06
Rot. Bonds5

About 4,4-dimethyl-1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentan-2-ol

4,4-dimethyl-1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentan-2-ol (PubChem CID 107153114) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentan-2-ol
PubChem CID107153114
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4,4-dimethyl-1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentan-2-ol
SMILESCC(C)c1cc2c(NCC(O)CC(C)(C)C)nccn2n1
InChIInChI=1S/C16H26N4O/c1-11(2)13-8-14-15(17-6-7-20(14)19-13)18-10-12(21)9-16(3,4)5/h6-8,11-12,21H,9-10H2,1-5H3,(H,17,18)
InChIKeyBFWHQVHTOMYTRU-UHFFFAOYSA-N
XLogP3.06
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentan-2-ol (CID 107153114) is 4,4-dimethyl-1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentan-2-ol is CC(C)c1cc2c(NCC(O)CC(C)(C)C)nccn2n1.
What is the InChIKey of 4,4-dimethyl-1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentan-2-ol?
The InChIKey is BFWHQVHTOMYTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11(2)13-8-14-15(17-6-7-20(14)19-13)18-10-12(21)9-16(3,4)5/h6-8,11-12,21H,9-10H2,1-5H3,(H,17,18).
What are the key properties of 4,4-dimethyl-1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentan-2-ol?
4,4-dimethyl-1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentan-2-ol has a molecular weight of 290.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 107153114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).