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

C18H24N6OS — CID 56756606

IUPAC6-(diethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)N(C)Cc3csc(C)n3)cnn2c1
InChIInChI=1S/C18H24N6OS/c1-5-23(6-2)9-14-7-19-17-16(8-20-24(17)10-14)18(25)22(4)11-15-12-26-13(3)21-15/h7-8,10,12H,5-6,9,11H2,1-4H3
InChIKeyLWJUCRCXRLRPSE-UHFFFAOYSA-N
MW372.50 g/mol
LogP2.61
Rot. Bonds7

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

6-(diethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56756606) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56756606
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC Name6-(diethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)N(C)Cc3csc(C)n3)cnn2c1
InChIInChI=1S/C18H24N6OS/c1-5-23(6-2)9-14-7-19-17-16(8-20-24(17)10-14)18(25)22(4)11-15-12-26-13(3)21-15/h7-8,10,12H,5-6,9,11H2,1-4H3
InChIKeyLWJUCRCXRLRPSE-UHFFFAOYSA-N
XLogP2.61
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56756606) is 6-(diethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)N(C)Cc3csc(C)n3)cnn2c1.
What is the InChIKey of 6-(diethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LWJUCRCXRLRPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS/c1-5-23(6-2)9-14-7-19-17-16(8-20-24(17)10-14)18(25)22(4)11-15-12-26-13(3)21-15/h7-8,10,12H,5-6,9,11H2,1-4H3.
What are the key properties of 6-(diethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 372.50 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56756606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).