4-[1-(3-methoxycyclobutyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

C18H19N7O — CID 146499039

IUPAC4-[1-(3-methoxycyclobutyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCOC1CC(n2cc(-c3nc(-c4cnn(C)c4)cn4nccc34)cn2)C1
InChIInChI=1S/C18H19N7O/c1-23-9-12(7-20-23)16-11-25-17(3-4-19-25)18(22-16)13-8-21-24(10-13)14-5-15(6-14)26-2/h3-4,7-11,14-15H,5-6H2,1-2H3
InChIKeyFIVYTPDSVRFCRK-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.34
Rot. Bonds4

About 4-[1-(3-methoxycyclobutyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

4-[1-(3-methoxycyclobutyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 146499039) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 4-[1-(3-methoxycyclobutyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[1-(3-methoxycyclobutyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
PubChem CID146499039
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name4-[1-(3-methoxycyclobutyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCOC1CC(n2cc(-c3nc(-c4cnn(C)c4)cn4nccc34)cn2)C1
InChIInChI=1S/C18H19N7O/c1-23-9-12(7-20-23)16-11-25-17(3-4-19-25)18(22-16)13-8-21-24(10-13)14-5-15(6-14)26-2/h3-4,7-11,14-15H,5-6H2,1-2H3
InChIKeyFIVYTPDSVRFCRK-UHFFFAOYSA-N
XLogP2.34
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methoxycyclobutyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[1-(3-methoxycyclobutyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (CID 146499039) is 4-[1-(3-methoxycyclobutyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[1-(3-methoxycyclobutyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[1-(3-methoxycyclobutyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is COC1CC(n2cc(-c3nc(-c4cnn(C)c4)cn4nccc34)cn2)C1.
What is the InChIKey of 4-[1-(3-methoxycyclobutyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is FIVYTPDSVRFCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-23-9-12(7-20-23)16-11-25-17(3-4-19-25)18(22-16)13-8-21-24(10-13)14-5-15(6-14)26-2/h3-4,7-11,14-15H,5-6H2,1-2H3.
What are the key properties of 4-[1-(3-methoxycyclobutyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
4-[1-(3-methoxycyclobutyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 349.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methoxycyclobutyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 146499039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).