7-oxo-6-propan-2-yl-5-[1-[1-(1,3-thiazol-4-yl)ethyl]pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C18H17N7OS — CID 90454691

IUPAC7-oxo-6-propan-2-yl-5-[1-[1-(1,3-thiazol-4-yl)ethyl]pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(-c2cnn(C(C)c3cscn3)c2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C18H17N7OS/c1-10(2)15-16(23-17-12(4-19)5-22-25(17)18(15)26)13-6-21-24(7-13)11(3)14-8-27-9-20-14/h5-11,22H,1-3H3
InChIKeyRCLNHYPIFLUEAX-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.95
Rot. Bonds4

About 7-oxo-6-propan-2-yl-5-[1-[1-(1,3-thiazol-4-yl)ethyl]pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-oxo-6-propan-2-yl-5-[1-[1-(1,3-thiazol-4-yl)ethyl]pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454691) has the molecular formula C18H17N7OS and a molecular weight of 379.45 g/mol. Its IUPAC name is 7-oxo-6-propan-2-yl-5-[1-[1-(1,3-thiazol-4-yl)ethyl]pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-oxo-6-propan-2-yl-5-[1-[1-(1,3-thiazol-4-yl)ethyl]pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90454691
Molecular FormulaC18H17N7OS
Molecular Weight379.45 g/mol
Exact Mass379.12
IUPAC Name7-oxo-6-propan-2-yl-5-[1-[1-(1,3-thiazol-4-yl)ethyl]pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(-c2cnn(C(C)c3cscn3)c2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C18H17N7OS/c1-10(2)15-16(23-17-12(4-19)5-22-25(17)18(15)26)13-6-21-24(7-13)11(3)14-8-27-9-20-14/h5-11,22H,1-3H3
InChIKeyRCLNHYPIFLUEAX-UHFFFAOYSA-N
XLogP2.95
TPSA104.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-oxo-6-propan-2-yl-5-[1-[1-(1,3-thiazol-4-yl)ethyl]pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile with MolForge

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Related Compounds

US10975084, Example 11-137
CID 142324798
7-oxo-6-propan-2-yl-5-[1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454629
5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454674
7-oxo-6-propan-2-yl-5-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454685
4-(1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 136771850
4-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one
CID 136771727
4-(1-methylpyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
CID 136771835
4-(1-methylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one
CID 136771898

Frequently Asked Questions

What is the IUPAC name of 7-oxo-6-propan-2-yl-5-[1-[1-(1,3-thiazol-4-yl)ethyl]pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-oxo-6-propan-2-yl-5-[1-[1-(1,3-thiazol-4-yl)ethyl]pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454691) is 7-oxo-6-propan-2-yl-5-[1-[1-(1,3-thiazol-4-yl)ethyl]pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-oxo-6-propan-2-yl-5-[1-[1-(1,3-thiazol-4-yl)ethyl]pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-oxo-6-propan-2-yl-5-[1-[1-(1,3-thiazol-4-yl)ethyl]pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)c1c(-c2cnn(C(C)c3cscn3)c2)nc2c(C#N)c[nH]n2c1=O.
What is the InChIKey of 7-oxo-6-propan-2-yl-5-[1-[1-(1,3-thiazol-4-yl)ethyl]pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is RCLNHYPIFLUEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7OS/c1-10(2)15-16(23-17-12(4-19)5-22-25(17)18(15)26)13-6-21-24(7-13)11(3)14-8-27-9-20-14/h5-11,22H,1-3H3.
What are the key properties of 7-oxo-6-propan-2-yl-5-[1-[1-(1,3-thiazol-4-yl)ethyl]pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-oxo-6-propan-2-yl-5-[1-[1-(1,3-thiazol-4-yl)ethyl]pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 379.45 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-6-propan-2-yl-5-[1-[1-(1,3-thiazol-4-yl)ethyl]pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).