2-(4-chlorophenyl)-N,N-diethyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C23H20ClFN4O — CID 42877611

IUPAC2-(4-chlorophenyl)-N,N-diethyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccccc2F)nc2cc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C23H20ClFN4O/c1-3-28(4-2)23(30)21-13-20(17-7-5-6-8-18(17)25)26-22-14-19(27-29(21)22)15-9-11-16(24)12-10-15/h5-14H,3-4H2,1-2H3
InChIKeyWVHNLTUKHYPSKB-UHFFFAOYSA-N
MW422.89 g/mol
LogP5.34
Rot. Bonds5

About 2-(4-chlorophenyl)-N,N-diethyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

2-(4-chlorophenyl)-N,N-diethyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 42877611) has the molecular formula C23H20ClFN4O and a molecular weight of 422.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N,N-diethyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N,N-diethyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID42877611
Molecular FormulaC23H20ClFN4O
Molecular Weight422.89 g/mol
Exact Mass422.13
IUPAC Name2-(4-chlorophenyl)-N,N-diethyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccccc2F)nc2cc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C23H20ClFN4O/c1-3-28(4-2)23(30)21-13-20(17-7-5-6-8-18(17)25)26-22-14-19(27-29(21)22)15-9-11-16(24)12-10-15/h5-14H,3-4H2,1-2H3
InChIKeyWVHNLTUKHYPSKB-UHFFFAOYSA-N
XLogP5.34
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.89
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-5-(2-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877638
[2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 42877639
2-tert-butyl-N,N-diethyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877392
N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079897
2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46170554
N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080104
5-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080130
1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42755325
5-(2-fluorophenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080172
2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080268
2-tert-butyl-N,5-bis(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079878
N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93009055

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N,N-diethyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N,N-diethyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 42877611) is 2-(4-chlorophenyl)-N,N-diethyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N,N-diethyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N,N-diethyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is CCN(CC)C(=O)c1cc(-c2ccccc2F)nc2cc(-c3ccc(Cl)cc3)nn12.
What is the InChIKey of 2-(4-chlorophenyl)-N,N-diethyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is WVHNLTUKHYPSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4O/c1-3-28(4-2)23(30)21-13-20(17-7-5-6-8-18(17)25)26-22-14-19(27-29(21)22)15-9-11-16(24)12-10-15/h5-14H,3-4H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N,N-diethyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
2-(4-chlorophenyl)-N,N-diethyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 422.89 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N,N-diethyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 42877611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).