2-tert-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide

C20H22Cl2N4O — CID 46079784

IUPAC2-tert-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(Cl)cc2Cl)n2nc(C(C)(C)C)cc2n1
InChIInChI=1S/C20H22Cl2N4O/c1-12-9-16(26-18(24-12)11-17(25-26)20(2,3)4)19(27)23-8-7-13-5-6-14(21)10-15(13)22/h5-6,9-11H,7-8H2,1-4H3,(H,23,27)
InChIKeyPDICUADJRPLSOO-UHFFFAOYSA-N
MW405.33 g/mol
LogP4.61
Rot. Bonds4

About 2-tert-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide

2-tert-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 46079784) has the molecular formula C20H22Cl2N4O and a molecular weight of 405.33 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID46079784
Molecular FormulaC20H22Cl2N4O
Molecular Weight405.33 g/mol
Exact Mass404.12
IUPAC Name2-tert-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(Cl)cc2Cl)n2nc(C(C)(C)C)cc2n1
InChIInChI=1S/C20H22Cl2N4O/c1-12-9-16(26-18(24-12)11-17(25-26)20(2,3)4)19(27)23-8-7-13-5-6-14(21)10-15(13)22/h5-6,9-11H,7-8H2,1-4H3,(H,23,27)
InChIKeyPDICUADJRPLSOO-UHFFFAOYSA-N
XLogP4.61
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877364
2-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109332615
2-tert-butyl-N-(2-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877365
N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080104
tert-butyl N-[6-[[2-tert-butyl-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]hexyl]carbamate
CID 42882271
N-[2-(2,4-dichlorophenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
CID 42660553
N-[2-(2,4-dichlorophenyl)ethyl]-1-(2-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42693185
6-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109353733
6-[2-(2,4-dichlorophenyl)ethylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373410
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-2-carboxamide
CID 62233257
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 29051396
N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide
CID 73388060

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 2-tert-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 46079784) is 2-tert-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide is Cc1cc(C(=O)NCCc2ccc(Cl)cc2Cl)n2nc(C(C)(C)C)cc2n1.
What is the InChIKey of 2-tert-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is PDICUADJRPLSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4O/c1-12-9-16(26-18(24-12)11-17(25-26)20(2,3)4)19(27)23-8-7-13-5-6-14(21)10-15(13)22/h5-6,9-11H,7-8H2,1-4H3,(H,23,27).
What are the key properties of 2-tert-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
2-tert-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 405.33 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 46079784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).