2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C25H25ClN4O3 — CID 3651301

IUPAC2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1c(C(=O)NCCc2ccc(OC)c(OC)c2)cnc2cc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C25H25ClN4O3/c1-4-21-19(25(31)27-12-11-16-5-10-22(32-2)23(13-16)33-3)15-28-24-14-20(29-30(21)24)17-6-8-18(26)9-7-17/h5-10,13-15H,4,11-12H2,1-3H3,(H,27,31)
InChIKeySEXHEQSTNYVYJD-UHFFFAOYSA-N
MW464.95 g/mol
LogP4.60
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethylpyrazolo[1,5-a]pyrimidine-6-carboxamide

2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3651301) has the molecular formula C25H25ClN4O3 and a molecular weight of 464.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3651301
Molecular FormulaC25H25ClN4O3
Molecular Weight464.95 g/mol
Exact Mass464.16
IUPAC Name2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1c(C(=O)NCCc2ccc(OC)c(OC)c2)cnc2cc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C25H25ClN4O3/c1-4-21-19(25(31)27-12-11-16-5-10-22(32-2)23(13-16)33-3)15-28-24-14-20(29-30(21)24)17-6-8-18(26)9-7-17/h5-10,13-15H,4,11-12H2,1-3H3,(H,27,31)
InChIKeySEXHEQSTNYVYJD-UHFFFAOYSA-N
XLogP4.60
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.95
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 42659791
2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5008166
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 9083338
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648353
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46074679
4-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 143074949
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
1-(3-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-ethylpyrazole-4-carboxamide
CID 46589359
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
CID 5224331
2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46170554
N-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 42752722

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 3651301) is 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCc1c(C(=O)NCCc2ccc(OC)c(OC)c2)cnc2cc(-c3ccc(Cl)cc3)nn12.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is SEXHEQSTNYVYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O3/c1-4-21-19(25(31)27-12-11-16-5-10-22(32-2)23(13-16)33-3)15-28-24-14-20(29-30(21)24)17-6-8-18(26)9-7-17/h5-10,13-15H,4,11-12H2,1-3H3,(H,27,31).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 464.95 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3651301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).