2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-1-pyrrolidin-1-ylethanone

C14H17N5O2 — CID 71799658

IUPAC2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-1-pyrrolidin-1-ylethanone
SMILESCc1nc(OCC(=O)N2CCCC2)cc(-n2cccn2)n1
InChIInChI=1S/C14H17N5O2/c1-11-16-12(19-8-4-5-15-19)9-13(17-11)21-10-14(20)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyQSRPTHSFXNDKEB-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.97
Rot. Bonds4

About 2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-1-pyrrolidin-1-ylethanone

2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-1-pyrrolidin-1-ylethanone (PubChem CID 71799658) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-1-pyrrolidin-1-ylethanone
PubChem CID71799658
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-1-pyrrolidin-1-ylethanone
SMILESCc1nc(OCC(=O)N2CCCC2)cc(-n2cccn2)n1
InChIInChI=1S/C14H17N5O2/c1-11-16-12(19-8-4-5-15-19)9-13(17-11)21-10-14(20)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyQSRPTHSFXNDKEB-UHFFFAOYSA-N
XLogP0.97
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,3,3-trifluoro-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122337820
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CID 56699807
3-(4-methoxyphenyl)-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122337730
2-(benzimidazol-1-yl)-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 70703750
2-(4-methylpyrimidin-2-yl)oxy-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 121086865
2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122338976
2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone
CID 72718281
(6-methoxy-3-pyridinyl)-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337826
4-(hydroxymethyl)-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-ol
CID 56748397
2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-piperidin-1-ylethanone
CID 6620932
1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122332287
2-methyl-6-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-1-pyrrolidin-1-ylethanone (CID 71799658) is 2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-1-pyrrolidin-1-ylethanone is Cc1nc(OCC(=O)N2CCCC2)cc(-n2cccn2)n1.
What is the InChIKey of 2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-1-pyrrolidin-1-ylethanone?
The InChIKey is QSRPTHSFXNDKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-11-16-12(19-8-4-5-15-19)9-13(17-11)21-10-14(20)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7,10H2,1H3.
What are the key properties of 2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-1-pyrrolidin-1-ylethanone?
2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-1-pyrrolidin-1-ylethanone has a molecular weight of 287.32 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxy-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 71799658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).