N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]pyrazol-1-yl]acetamide

C18H22N8O2 — CID 45199438

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]pyrazol-1-yl]acetamide
SMILESCc1cc(NC(=O)Cn2cc(-c3nccc(N4CCC(O)C4)n3)cn2)n(C)n1
InChIInChI=1S/C18H22N8O2/c1-12-7-16(24(2)23-12)21-17(28)11-26-9-13(8-20-26)18-19-5-3-15(22-18)25-6-4-14(27)10-25/h3,5,7-9,14,27H,4,6,10-11H2,1-2H3,(H,21,28)
InChIKeyXKEPPIHCGNSOGF-UHFFFAOYSA-N
MW382.43 g/mol
LogP0.59
Rot. Bonds5

About N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]pyrazol-1-yl]acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]pyrazol-1-yl]acetamide (PubChem CID 45199438) has the molecular formula C18H22N8O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]pyrazol-1-yl]acetamide
PubChem CID45199438
Molecular FormulaC18H22N8O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]pyrazol-1-yl]acetamide
SMILESCc1cc(NC(=O)Cn2cc(-c3nccc(N4CCC(O)C4)n3)cn2)n(C)n1
InChIInChI=1S/C18H22N8O2/c1-12-7-16(24(2)23-12)21-17(28)11-26-9-13(8-20-26)18-19-5-3-15(22-18)25-6-4-14(27)10-25/h3,5,7-9,14,27H,4,6,10-11H2,1-2H3,(H,21,28)
InChIKeyXKEPPIHCGNSOGF-UHFFFAOYSA-N
XLogP0.59
TPSA113.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]pyrazol-1-yl]acetamide (CID 45199438) is N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]pyrazol-1-yl]acetamide is Cc1cc(NC(=O)Cn2cc(-c3nccc(N4CCC(O)C4)n3)cn2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]pyrazol-1-yl]acetamide?
The InChIKey is XKEPPIHCGNSOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O2/c1-12-7-16(24(2)23-12)21-17(28)11-26-9-13(8-20-26)18-19-5-3-15(22-18)25-6-4-14(27)10-25/h3,5,7-9,14,27H,4,6,10-11H2,1-2H3,(H,21,28).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]pyrazol-1-yl]acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]pyrazol-1-yl]acetamide has a molecular weight of 382.43 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 45199438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).