N-[2-(4-chlorophenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C17H17ClN4O — CID 110853496

IUPACN-[2-(4-chlorophenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc2nc(C(=O)NCCc3ccc(Cl)cc3)cc(C)n2n1
InChIInChI=1S/C17H17ClN4O/c1-11-9-16-20-15(10-12(2)22(16)21-11)17(23)19-8-7-13-3-5-14(18)6-4-13/h3-6,9-10H,7-8H2,1-2H3,(H,19,23)
InChIKeyOZFWMGYXEMNNCF-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.97
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-[2-(4-chlorophenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 110853496) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID110853496
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc2nc(C(=O)NCCc3ccc(Cl)cc3)cc(C)n2n1
InChIInChI=1S/C17H17ClN4O/c1-11-9-16-20-15(10-12(2)22(16)21-11)17(23)19-8-7-13-3-5-14(18)6-4-13/h3-6,9-10H,7-8H2,1-2H3,(H,19,23)
InChIKeyOZFWMGYXEMNNCF-UHFFFAOYSA-N
XLogP2.97
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 74250954
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322300
N-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110857591
2,7-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110851998
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327800
N-[2-(4-chlorophenyl)ethyl]-2-methyltriazole-4-carboxamide
CID 110691406
N-[2-(4-chlorophenyl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26516337
N-[2-(4-chlorophenyl)ethyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326041
N-[2-(4-chlorophenyl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853491
N-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109372800
N-[2-(4-chlorophenyl)ethyl]-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365029
2-[butyl(methyl)amino]-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331713

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 110853496) is N-[2-(4-chlorophenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide is Cc1cc2nc(C(=O)NCCc3ccc(Cl)cc3)cc(C)n2n1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is OZFWMGYXEMNNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-11-9-16-20-15(10-12(2)22(16)21-11)17(23)19-8-7-13-3-5-14(18)6-4-13/h3-6,9-10H,7-8H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 110853496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).