6-(diethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H23N7O — CID 56701689

IUPAC6-(diethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCCc3ncc[nH]3)cnn2c1
InChIInChI=1S/C17H23N7O/c1-3-23(4-2)11-13-9-21-16-14(10-22-24(16)12-13)17(25)20-6-5-15-18-7-8-19-15/h7-10,12H,3-6,11H2,1-2H3,(H,18,19)(H,20,25)
InChIKeyUMAIJLIKVTWHDV-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.27
Rot. Bonds8

About 6-(diethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(diethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56701689) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56701689
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name6-(diethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCCc3ncc[nH]3)cnn2c1
InChIInChI=1S/C17H23N7O/c1-3-23(4-2)11-13-9-21-16-14(10-22-24(16)12-13)17(25)20-6-5-15-18-7-8-19-15/h7-10,12H,3-6,11H2,1-2H3,(H,18,19)(H,20,25)
InChIKeyUMAIJLIKVTWHDV-UHFFFAOYSA-N
XLogP1.27
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56701689) is 6-(diethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)NCCc3ncc[nH]3)cnn2c1.
What is the InChIKey of 6-(diethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UMAIJLIKVTWHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-3-23(4-2)11-13-9-21-16-14(10-22-24(16)12-13)17(25)20-6-5-15-18-7-8-19-15/h7-10,12H,3-6,11H2,1-2H3,(H,18,19)(H,20,25).
What are the key properties of 6-(diethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56701689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).