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

C22H29N5O — CID 58584028

IUPAC3-[4-(diethylamino)-2-methylphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCCN(CC)c1ccc(/N=C2\C(C)=Nn3c2nc(C(C)C)c(C)c3=O)c(C)c1
InChIInChI=1S/C22H29N5O/c1-8-26(9-2)17-10-11-18(14(5)12-17)23-20-16(7)25-27-21(20)24-19(13(3)4)15(6)22(27)28/h10-13H,8-9H2,1-7H3/b23-20+
InChIKeyJYADBFXBZNCVHK-BSYVCWPDSA-N
MW379.51 g/mol
LogP4.19
Rot. Bonds5

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

3-[4-(diethylamino)-2-methylphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 58584028) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 3-[4-(diethylamino)-2-methylphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-[4-(diethylamino)-2-methylphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID58584028
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name3-[4-(diethylamino)-2-methylphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCCN(CC)c1ccc(/N=C2\C(C)=Nn3c2nc(C(C)C)c(C)c3=O)c(C)c1
InChIInChI=1S/C22H29N5O/c1-8-26(9-2)17-10-11-18(14(5)12-17)23-20-16(7)25-27-21(20)24-19(13(3)4)15(6)22(27)28/h10-13H,8-9H2,1-7H3/b23-20+
InChIKeyJYADBFXBZNCVHK-BSYVCWPDSA-N
XLogP4.19
TPSA62.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[4-(diethylamino)-2-methylphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)-2-methylphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-[4-(diethylamino)-2-methylphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one (CID 58584028) is 3-[4-(diethylamino)-2-methylphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-[4-(diethylamino)-2-methylphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-[4-(diethylamino)-2-methylphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one is CCN(CC)c1ccc(/N=C2\C(C)=Nn3c2nc(C(C)C)c(C)c3=O)c(C)c1.
What is the InChIKey of 3-[4-(diethylamino)-2-methylphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JYADBFXBZNCVHK-BSYVCWPDSA-N. The full InChI is InChI=1S/C22H29N5O/c1-8-26(9-2)17-10-11-18(14(5)12-17)23-20-16(7)25-27-21(20)24-19(13(3)4)15(6)22(27)28/h10-13H,8-9H2,1-7H3/b23-20+.
What are the key properties of 3-[4-(diethylamino)-2-methylphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
3-[4-(diethylamino)-2-methylphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 379.51 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)-2-methylphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 58584028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).