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

C18H17N7OS — CID 90454674

IUPAC5-[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
SMILESCc1nc(Cn2cc(-c3nc4c(C#N)c[nH]n4c(=O)c3C(C)C)cn2)cs1
InChIInChI=1S/C18H17N7OS/c1-10(2)15-16(23-17-12(4-19)5-21-25(17)18(15)26)13-6-20-24(7-13)8-14-9-27-11(3)22-14/h5-7,9-10,21H,8H2,1-3H3
InChIKeyZEDXVTJXKRQYNJ-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.69
Rot. Bonds4

About 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

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 (PubChem CID 90454674) has the molecular formula C18H17N7OS and a molecular weight of 379.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID90454674
Molecular FormulaC18H17N7OS
Molecular Weight379.45 g/mol
Exact Mass379.12
IUPAC Name5-[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
SMILESCc1nc(Cn2cc(-c3nc4c(C#N)c[nH]n4c(=O)c3C(C)C)cn2)cs1
InChIInChI=1S/C18H17N7OS/c1-10(2)15-16(23-17-12(4-19)5-21-25(17)18(15)26)13-6-20-24(7-13)8-14-9-27-11(3)22-14/h5-7,9-10,21H,8H2,1-3H3
InChIKeyZEDXVTJXKRQYNJ-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

US10975084, Example 11-137
CID 142324798
6-(1-Methylpyrazol-4-yl)-2-(4-trifluoromethylthiazol-2-yl)pyrimidin-4-ol
CID 136136775
6-(1-Ethylpyrazol-4-yl)-2-(4-trifluoromethylthiazol-2-yl)pyrimidin-4-ol
CID 136136785
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
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
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
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-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidin-6-one
CID 136771679
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(Cn2cc(-c3nc4c(C#N)c[nH]n4c(=O)c3C(C)C)cn2)cs1.
What is the InChIKey of 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?
The InChIKey is ZEDXVTJXKRQYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7OS/c1-10(2)15-16(23-17-12(4-19)5-21-25(17)18(15)26)13-6-20-24(7-13)8-14-9-27-11(3)22-14/h5-7,9-10,21H,8H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 379.45 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90454674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).