7-(3,4-dichlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C19H22Cl2N4O2 — CID 135843961

IUPAC7-(3,4-dichlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCN(CCOC)C(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H22Cl2N4O2/c1-4-24(9-10-27-3)19(26)17-12(2)23-16-7-8-22-25(16)18(17)13-5-6-14(20)15(21)11-13/h5-8,11,18,23H,4,9-10H2,1-3H3
InChIKeyWVGUSJNDDNQRQE-UHFFFAOYSA-N
MW409.32 g/mol
LogP3.97
Rot. Bonds6

About 7-(3,4-dichlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

7-(3,4-dichlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135843961) has the molecular formula C19H22Cl2N4O2 and a molecular weight of 409.32 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135843961
Molecular FormulaC19H22Cl2N4O2
Molecular Weight409.32 g/mol
Exact Mass408.11
IUPAC Name7-(3,4-dichlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCN(CCOC)C(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H22Cl2N4O2/c1-4-24(9-10-27-3)19(26)17-12(2)23-16-7-8-22-25(16)18(17)13-5-6-14(20)15(21)11-13/h5-8,11,18,23H,4,9-10H2,1-3H3
InChIKeyWVGUSJNDDNQRQE-UHFFFAOYSA-N
XLogP3.97
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Bms-394136
CID 135446049
7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135433132
CID 135443450
CID 135443450
[7-(3-Chlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135450037
[7-(3,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone
CID 135450069
[7-(3,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135450097
[7-(3,5-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135450099
9-(3,4-Dichlorophenyl)-5,6,7,9-tetrahydropyrazolo[5.1-b]quinazolin-8(4H)-one
CID 135494158
[7-(3,4-Dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135528474
[7-(3,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 135532460
CID 135532473
CID 135532473
CID 135532763
CID 135532763

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3,4-dichlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135843961) is 7-(3,4-dichlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3,4-dichlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CCN(CCOC)C(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 7-(3,4-dichlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is WVGUSJNDDNQRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O2/c1-4-24(9-10-27-3)19(26)17-12(2)23-16-7-8-22-25(16)18(17)13-5-6-14(20)15(21)11-13/h5-8,11,18,23H,4,9-10H2,1-3H3.
What are the key properties of 7-(3,4-dichlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3,4-dichlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 409.32 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135843961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).