[1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperidin-4-yl]methanol

C25H34N8O — CID 121391075

IUPAC[1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperidin-4-yl]methanol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCN4CCC(CO)CC4)c3)cn3nccc23)cn1
InChIInChI=1S/C25H34N8O/c1-3-22(4-2)32-16-21(14-28-32)25-24-5-8-26-33(24)17-23(29-25)20-13-27-31(15-20)12-11-30-9-6-19(18-34)7-10-30/h5,8,13-17,19,22,34H,3-4,6-7,9-12,18H2,1-2H3
InChIKeyKNAGBHSVICAWIT-UHFFFAOYSA-N
MW462.60 g/mol
LogP3.52
Rot. Bonds9

About [1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperidin-4-yl]methanol

[1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperidin-4-yl]methanol (PubChem CID 121391075) has the molecular formula C25H34N8O and a molecular weight of 462.60 g/mol. Its IUPAC name is [1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperidin-4-yl]methanol
PubChem CID121391075
Molecular FormulaC25H34N8O
Molecular Weight462.60 g/mol
Exact Mass462.29
IUPAC Name[1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperidin-4-yl]methanol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCN4CCC(CO)CC4)c3)cn3nccc23)cn1
InChIInChI=1S/C25H34N8O/c1-3-22(4-2)32-16-21(14-28-32)25-24-5-8-26-33(24)17-23(29-25)20-13-27-31(15-20)12-11-30-9-6-19(18-34)7-10-30/h5,8,13-17,19,22,34H,3-4,6-7,9-12,18H2,1-2H3
InChIKeyKNAGBHSVICAWIT-UHFFFAOYSA-N
XLogP3.52
TPSA89.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperidin-4-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperidin-4-yl]methanol (CID 121391075) is [1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperidin-4-yl]methanol is CCC(CC)n1cc(-c2nc(-c3cnn(CCN4CCC(CO)CC4)c3)cn3nccc23)cn1.
What is the InChIKey of [1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperidin-4-yl]methanol?
The InChIKey is KNAGBHSVICAWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N8O/c1-3-22(4-2)32-16-21(14-28-32)25-24-5-8-26-33(24)17-23(29-25)20-13-27-31(15-20)12-11-30-9-6-19(18-34)7-10-30/h5,8,13-17,19,22,34H,3-4,6-7,9-12,18H2,1-2H3.
What are the key properties of [1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperidin-4-yl]methanol?
[1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperidin-4-yl]methanol has a molecular weight of 462.60 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 121391075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).