6-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H22ClN5O2 — CID 55736989

IUPAC6-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C20H22ClN5O2/c1-12-16(13(2)26-20(24-12)17(10-23-26)19(22)28)7-8-18(27)25(3)11-14-5-4-6-15(21)9-14/h4-6,9-10H,7-8,11H2,1-3H3,(H2,22,28)
InChIKeyFPWKKEJHPDYSTH-UHFFFAOYSA-N
MW399.88 g/mol
LogP2.69
Rot. Bonds6

About 6-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55736989) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is 6-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID55736989
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC Name6-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C20H22ClN5O2/c1-12-16(13(2)26-20(24-12)17(10-23-26)19(22)28)7-8-18(27)25(3)11-14-5-4-6-15(21)9-14/h4-6,9-10H,7-8,11H2,1-3H3,(H2,22,28)
InChIKeyFPWKKEJHPDYSTH-UHFFFAOYSA-N
XLogP2.69
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[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 6-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55736989) is 6-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of 6-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FPWKKEJHPDYSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O2/c1-12-16(13(2)26-20(24-12)17(10-23-26)19(22)28)7-8-18(27)25(3)11-14-5-4-6-15(21)9-14/h4-6,9-10H,7-8,11H2,1-3H3,(H2,22,28).
What are the key properties of 6-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 399.88 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55736989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).