N-[1-(4-methoxyphenyl)propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H20N4O2 — CID 46957534

IUPACN-[1-(4-methoxyphenyl)propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(NC(=O)c1cnn2cc(C)cnc12)c1ccc(OC)cc1
InChIInChI=1S/C18H20N4O2/c1-4-16(13-5-7-14(24-3)8-6-13)21-18(23)15-10-20-22-11-12(2)9-19-17(15)22/h5-11,16H,4H2,1-3H3,(H,21,23)
InChIKeyZBWPJJWTCWSYEM-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.93
Rot. Bonds5

About N-[1-(4-methoxyphenyl)propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(4-methoxyphenyl)propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 46957534) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID46957534
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(NC(=O)c1cnn2cc(C)cnc12)c1ccc(OC)cc1
InChIInChI=1S/C18H20N4O2/c1-4-16(13-5-7-14(24-3)8-6-13)21-18(23)15-10-20-22-11-12(2)9-19-17(15)22/h5-11,16H,4H2,1-3H3,(H,21,23)
InChIKeyZBWPJJWTCWSYEM-UHFFFAOYSA-N
XLogP2.93
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-methoxyphenyl)propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide 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 N-[1-(4-methoxyphenyl)propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 46957534) is N-[1-(4-methoxyphenyl)propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCC(NC(=O)c1cnn2cc(C)cnc12)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZBWPJJWTCWSYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-4-16(13-5-7-14(24-3)8-6-13)21-18(23)15-10-20-22-11-12(2)9-19-17(15)22/h5-11,16H,4H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(4-methoxyphenyl)propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46957534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).