6-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H23ClN4O2 — CID 4300020

IUPAC6-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2cnn3c(C)c(Cc4ccc(Cl)cc4)c(C)nc23)c1
InChIInChI=1S/C24H23ClN4O2/c1-15-21(12-17-7-9-19(25)10-8-17)16(2)29-23(28-15)22(14-27-29)24(30)26-13-18-5-4-6-20(11-18)31-3/h4-11,14H,12-13H2,1-3H3,(H,26,30)
InChIKeyAVCMWPQMUIFXOX-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.53
Rot. Bonds6

About 6-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4300020) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4300020
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC Name6-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2cnn3c(C)c(Cc4ccc(Cl)cc4)c(C)nc23)c1
InChIInChI=1S/C24H23ClN4O2/c1-15-21(12-17-7-9-19(25)10-8-17)16(2)29-23(28-15)22(14-27-29)24(30)26-13-18-5-4-6-20(11-18)31-3/h4-11,14H,12-13H2,1-3H3,(H,26,30)
InChIKeyAVCMWPQMUIFXOX-UHFFFAOYSA-N
XLogP4.53
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4300020) is 6-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cccc(CNC(=O)c2cnn3c(C)c(Cc4ccc(Cl)cc4)c(C)nc23)c1.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AVCMWPQMUIFXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-15-21(12-17-7-9-19(25)10-8-17)16(2)29-23(28-15)22(14-27-29)24(30)26-13-18-5-4-6-20(11-18)31-3/h4-11,14H,12-13H2,1-3H3,(H,26,30).
What are the key properties of 6-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 434.93 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4300020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).