N,6-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H15N5OS — CID 50980212

IUPACN,6-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)N(C)C(C)c3nccs3)cnn2c1
InChIInChI=1S/C14H15N5OS/c1-9-6-16-12-11(7-17-19(12)8-9)14(20)18(3)10(2)13-15-4-5-21-13/h4-8,10H,1-3H3
InChIKeyZDQJVIOTUOLERM-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.33
Rot. Bonds3

About N,6-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N,6-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 50980212) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N,6-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID50980212
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN,6-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)N(C)C(C)c3nccs3)cnn2c1
InChIInChI=1S/C14H15N5OS/c1-9-6-16-12-11(7-17-19(12)8-9)14(20)18(3)10(2)13-15-4-5-21-13/h4-8,10H,1-3H3
InChIKeyZDQJVIOTUOLERM-UHFFFAOYSA-N
XLogP2.33
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N,6-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 50980212) is N,6-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,6-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,6-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)N(C)C(C)c3nccs3)cnn2c1.
What is the InChIKey of N,6-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZDQJVIOTUOLERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-9-6-16-12-11(7-17-19(12)8-9)14(20)18(3)10(2)13-15-4-5-21-13/h4-8,10H,1-3H3.
What are the key properties of N,6-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N,6-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 301.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 50980212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).