3-[4-(dimethylamino)-2-methoxyphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one

C20H25N5O2 — CID 58584055

IUPAC3-[4-(dimethylamino)-2-methoxyphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cc(N(C)C)ccc1/N=C1\C(C)=Nn2c1nc(C(C)C)c(C)c2=O
InChIInChI=1S/C20H25N5O2/c1-11(2)17-12(3)20(26)25-19(22-17)18(13(4)23-25)21-15-9-8-14(24(5)6)10-16(15)27-7/h8-11H,1-7H3/b21-18+
InChIKeyGHNDUEQXPDPAGJ-DYTRJAOYSA-N
MW367.45 g/mol
LogP3.11
Rot. Bonds4

About 3-[4-(dimethylamino)-2-methoxyphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one

3-[4-(dimethylamino)-2-methoxyphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 58584055) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[4-(dimethylamino)-2-methoxyphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)-2-methoxyphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID58584055
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name3-[4-(dimethylamino)-2-methoxyphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cc(N(C)C)ccc1/N=C1\C(C)=Nn2c1nc(C(C)C)c(C)c2=O
InChIInChI=1S/C20H25N5O2/c1-11(2)17-12(3)20(26)25-19(22-17)18(13(4)23-25)21-15-9-8-14(24(5)6)10-16(15)27-7/h8-11H,1-7H3/b21-18+
InChIKeyGHNDUEQXPDPAGJ-DYTRJAOYSA-N
XLogP3.11
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)-2-methoxyphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-[4-(dimethylamino)-2-methoxyphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one (CID 58584055) is 3-[4-(dimethylamino)-2-methoxyphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-[4-(dimethylamino)-2-methoxyphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-[4-(dimethylamino)-2-methoxyphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one is COc1cc(N(C)C)ccc1/N=C1\C(C)=Nn2c1nc(C(C)C)c(C)c2=O.
What is the InChIKey of 3-[4-(dimethylamino)-2-methoxyphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GHNDUEQXPDPAGJ-DYTRJAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-11(2)17-12(3)20(26)25-19(22-17)18(13(4)23-25)21-15-9-8-14(24(5)6)10-16(15)27-7/h8-11H,1-7H3/b21-18+.
What are the key properties of 3-[4-(dimethylamino)-2-methoxyphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
3-[4-(dimethylamino)-2-methoxyphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 367.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)-2-methoxyphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 58584055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).