6-[(2,5-dichlorophenyl)methyl]-N-(2-methoxyethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H20Cl2N4O2 — CID 24771504

IUPAC6-[(2,5-dichlorophenyl)methyl]-N-(2-methoxyethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCCNC(=O)c1cnn2c(C)c(Cc3cc(Cl)ccc3Cl)c(C)nc12
InChIInChI=1S/C19H20Cl2N4O2/c1-11-15(9-13-8-14(20)4-5-17(13)21)12(2)25-18(24-11)16(10-23-25)19(26)22-6-7-27-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,22,26)
InChIKeyHQYICPHHHCJWCG-UHFFFAOYSA-N
MW407.30 g/mol
LogP3.62
Rot. Bonds6

About 6-[(2,5-dichlorophenyl)methyl]-N-(2-methoxyethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[(2,5-dichlorophenyl)methyl]-N-(2-methoxyethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 24771504) has the molecular formula C19H20Cl2N4O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is 6-[(2,5-dichlorophenyl)methyl]-N-(2-methoxyethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(2,5-dichlorophenyl)methyl]-N-(2-methoxyethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID24771504
Molecular FormulaC19H20Cl2N4O2
Molecular Weight407.30 g/mol
Exact Mass406.10
IUPAC Name6-[(2,5-dichlorophenyl)methyl]-N-(2-methoxyethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCCNC(=O)c1cnn2c(C)c(Cc3cc(Cl)ccc3Cl)c(C)nc12
InChIInChI=1S/C19H20Cl2N4O2/c1-11-15(9-13-8-14(20)4-5-17(13)21)12(2)25-18(24-11)16(10-23-25)19(26)22-6-7-27-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,22,26)
InChIKeyHQYICPHHHCJWCG-UHFFFAOYSA-N
XLogP3.62
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[(4-chlorophenyl)methyl]-N-(3-methoxypropyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4163914
N-[(2-chlorophenyl)methyl]-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5220894
6-[(3-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4109357
6-[(3-bromophenyl)methyl]-5,7-dimethyl-N-(2-propan-2-yloxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24771351
6-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4192107
5,7-dimethyl-N-propyl-6-[(2,4,6-trimethylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3393297
N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24771163
6-benzyl-N-[2-(dimethylamino)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 126479422
6-[(4-chlorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4300024
N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139313875
[6-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3262969
6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4119482

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dichlorophenyl)methyl]-N-(2-methoxyethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(2,5-dichlorophenyl)methyl]-N-(2-methoxyethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 24771504) is 6-[(2,5-dichlorophenyl)methyl]-N-(2-methoxyethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(2,5-dichlorophenyl)methyl]-N-(2-methoxyethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(2,5-dichlorophenyl)methyl]-N-(2-methoxyethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COCCNC(=O)c1cnn2c(C)c(Cc3cc(Cl)ccc3Cl)c(C)nc12.
What is the InChIKey of 6-[(2,5-dichlorophenyl)methyl]-N-(2-methoxyethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HQYICPHHHCJWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O2/c1-11-15(9-13-8-14(20)4-5-17(13)21)12(2)25-18(24-11)16(10-23-25)19(26)22-6-7-27-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,22,26).
What are the key properties of 6-[(2,5-dichlorophenyl)methyl]-N-(2-methoxyethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(2,5-dichlorophenyl)methyl]-N-(2-methoxyethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 407.30 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dichlorophenyl)methyl]-N-(2-methoxyethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 24771504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).