N,5,7-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H19N5OS — CID 70760862

IUPACN,5,7-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N(C)CCc3scnc3C)cc2n1
InChIInChI=1S/C16H19N5OS/c1-10-7-11(2)21-15(18-10)8-13(19-21)16(22)20(4)6-5-14-12(3)17-9-23-14/h7-9H,5-6H2,1-4H3
InChIKeyIFYAHVVRBAUVGY-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.43
Rot. Bonds4

About N,5,7-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

N,5,7-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 70760862) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is N,5,7-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN,5,7-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID70760862
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC NameN,5,7-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N(C)CCc3scnc3C)cc2n1
InChIInChI=1S/C16H19N5OS/c1-10-7-11(2)21-15(18-10)8-13(19-21)16(22)20(4)6-5-14-12(3)17-9-23-14/h7-9H,5-6H2,1-4H3
InChIKeyIFYAHVVRBAUVGY-UHFFFAOYSA-N
XLogP2.43
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6-Bromo-pyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethyl-4,5,7,8-tetrahydro-thiazolo[4,5-d]azepin-6-yl)-methanone
CID 71739469
(6-Chloro-pyrazolo[1,5-a]pyrimidin-2-yl)-(4,5,7,8-tetrahydro-thiazolo[4,5-d]azepin-6-yl)-methanone
CID 71748062
(6-Chloro-pyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4,5,7,8-tetrahydro-thiazolo[4,5-d]azepin-6-yl)-methanone
CID 71748065
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2-methyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone
CID 71748080
(3,5-Dimethyl-4-(pyrimidin-2-ylthio)-1H-pyrazol-1-yl)(1-ethyl-3-methyl-1H-pyrazol-5-yl)methanone
CID 2745245
(6-Bromo-pyrazolo[1,5-a]pyrimidin-2-yl)-(4,5,7,8-tetrahydro-thiazolo[4,5-d]azepin-6-yl)-methanone
CID 71748045
(6-Bromo-pyrazolo[1,5-a]pyrimidin-2-yl)-(2-isopropyl-4,5,7,8-tetrahydro-thiazolo[4,5-d]azepin-6-yl)-methanone
CID 71748064
(6-Chloro-pyrazolo[1,5-a]pyrimidin-2-yl)-(2-isopropyl-4,5,7,8-tetrahydro-thiazolo[4,5-d]azepin-6-yl)-methanone
CID 71748085
Piperidin-1-yl-[5-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 135300257
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-(methoxymethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]methanone
CID 71748060
(6-Methylpyrazolo[1,5-a]pyrimidin-2-yl)-(4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)methanone
CID 71748061
N-(5-methyl-3-thia-1,5-diaza-4,5,6,7-tetrahydro-2-indenyl)-1-methyl-3-methyl-5-pyrazolecarboxamide
CID 30607782

Frequently Asked Questions

What is the IUPAC name of N,5,7-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N,5,7-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 70760862) is N,5,7-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N,5,7-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N,5,7-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)N(C)CCc3scnc3C)cc2n1.
What is the InChIKey of N,5,7-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is IFYAHVVRBAUVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-10-7-11(2)21-15(18-10)8-13(19-21)16(22)20(4)6-5-14-12(3)17-9-23-14/h7-9H,5-6H2,1-4H3.
What are the key properties of N,5,7-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N,5,7-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,7-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 70760862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).