N-[2-[4-(furan-2-yl)phenyl]ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H20N4O2 — CID 164780525

IUPACN-[2-[4-(furan-2-yl)phenyl]ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)NCCc3ccc(-c4ccco4)cc3)c2n1
InChIInChI=1S/C21H20N4O2/c1-14-12-15(2)25-20(24-14)18(13-23-25)21(26)22-10-9-16-5-7-17(8-6-16)19-4-3-11-27-19/h3-8,11-13H,9-10H2,1-2H3,(H,22,26)
InChIKeyJMXUUIRFRWZTIC-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.58
Rot. Bonds5

About N-[2-[4-(furan-2-yl)phenyl]ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-[4-(furan-2-yl)phenyl]ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 164780525) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[2-[4-(furan-2-yl)phenyl]ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-yl)phenyl]ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID164780525
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[2-[4-(furan-2-yl)phenyl]ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)NCCc3ccc(-c4ccco4)cc3)c2n1
InChIInChI=1S/C21H20N4O2/c1-14-12-15(2)25-20(24-14)18(13-23-25)21(26)22-10-9-16-5-7-17(8-6-16)19-4-3-11-27-19/h3-8,11-13H,9-10H2,1-2H3,(H,22,26)
InChIKeyJMXUUIRFRWZTIC-UHFFFAOYSA-N
XLogP3.58
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 43058930
5,7-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46585831
N-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440606
5,7-dimethyl-N-[[2-methyl-4-(1,3-oxazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164780512
N-[2-(diethylamino)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440824
1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-3-phenylpropan-1-one
CID 158965496
N-(4-hydroxypentyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 107300375
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 121197168
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74239036
5,7-dimethyl-N-[2-[(5-methyl-3-pyridinyl)oxy]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155153499
N-[4-(3-methoxyphenyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53316074
1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 26320964

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-yl)phenyl]ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-[4-(furan-2-yl)phenyl]ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 164780525) is N-[2-[4-(furan-2-yl)phenyl]ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(furan-2-yl)phenyl]ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-[4-(furan-2-yl)phenyl]ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)NCCc3ccc(-c4ccco4)cc3)c2n1.
What is the InChIKey of N-[2-[4-(furan-2-yl)phenyl]ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JMXUUIRFRWZTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-12-15(2)25-20(24-14)18(13-23-25)21(26)22-10-9-16-5-7-17(8-6-16)19-4-3-11-27-19/h3-8,11-13H,9-10H2,1-2H3,(H,22,26).
What are the key properties of N-[2-[4-(furan-2-yl)phenyl]ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-[4-(furan-2-yl)phenyl]ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-yl)phenyl]ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 164780525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).