N-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide

C18H20N6O2 — CID 163301662

IUPACN-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide
SMILESC=CC(=O)N(C)C1CC(Oc2nc(-c3cnn(C)c3)cn3nccc23)C1
InChIInChI=1S/C18H20N6O2/c1-4-17(25)23(3)13-7-14(8-13)26-18-16-5-6-19-24(16)11-15(21-18)12-9-20-22(2)10-12/h4-6,9-11,13-14H,1,7-8H2,2-3H3
InChIKeyJLDAHVDBMNCNIE-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.68
Rot. Bonds5

About N-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide

N-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide (PubChem CID 163301662) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide
PubChem CID163301662
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide
SMILESC=CC(=O)N(C)C1CC(Oc2nc(-c3cnn(C)c3)cn3nccc23)C1
InChIInChI=1S/C18H20N6O2/c1-4-17(25)23(3)13-7-14(8-13)26-18-16-5-6-19-24(16)11-15(21-18)12-9-20-22(2)10-12/h4-6,9-11,13-14H,1,7-8H2,2-3H3
InChIKeyJLDAHVDBMNCNIE-UHFFFAOYSA-N
XLogP1.68
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide (CID 163301662) is N-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide is C=CC(=O)N(C)C1CC(Oc2nc(-c3cnn(C)c3)cn3nccc23)C1.
What is the InChIKey of N-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide?
The InChIKey is JLDAHVDBMNCNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-4-17(25)23(3)13-7-14(8-13)26-18-16-5-6-19-24(16)11-15(21-18)12-9-20-22(2)10-12/h4-6,9-11,13-14H,1,7-8H2,2-3H3.
What are the key properties of N-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide?
N-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide has a molecular weight of 352.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide is sourced from PubChem (CID 163301662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).