6-(diethylaminomethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H22N6OS — CID 56750840

IUPAC6-(diethylaminomethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCc3nc(C)cs3)cnn2c1
InChIInChI=1S/C17H22N6OS/c1-4-22(5-2)9-13-6-18-16-14(7-20-23(16)10-13)17(24)19-8-15-21-12(3)11-25-15/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,24)
InChIKeyYULBMGKMPZPJMC-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.27
Rot. Bonds7

About 6-(diethylaminomethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(diethylaminomethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56750840) has the molecular formula C17H22N6OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56750840
Molecular FormulaC17H22N6OS
Molecular Weight358.47 g/mol
Exact Mass358.16
IUPAC Name6-(diethylaminomethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCc3nc(C)cs3)cnn2c1
InChIInChI=1S/C17H22N6OS/c1-4-22(5-2)9-13-6-18-16-14(7-20-23(16)10-13)17(24)19-8-15-21-12(3)11-25-15/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,24)
InChIKeyYULBMGKMPZPJMC-UHFFFAOYSA-N
XLogP2.27
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56750840) is 6-(diethylaminomethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)NCc3nc(C)cs3)cnn2c1.
What is the InChIKey of 6-(diethylaminomethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YULBMGKMPZPJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6OS/c1-4-22(5-2)9-13-6-18-16-14(7-20-23(16)10-13)17(24)19-8-15-21-12(3)11-25-15/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,24).
What are the key properties of 6-(diethylaminomethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56750840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).