2-[5-pyrrolidin-2-yl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol

C17H24N6O — CID 175662113

IUPAC2-[5-pyrrolidin-2-yl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
SMILESOCCn1ncc(-c2ccnc(N3CCCC3)n2)c1C1CCCN1
InChIInChI=1S/C17H24N6O/c24-11-10-23-16(15-4-3-6-18-15)13(12-20-23)14-5-7-19-17(21-14)22-8-1-2-9-22/h5,7,12,15,18,24H,1-4,6,8-11H2
InChIKeySGHWLPJVUAHHFQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.36
Rot. Bonds5

About 2-[5-pyrrolidin-2-yl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol

2-[5-pyrrolidin-2-yl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol (PubChem CID 175662113) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[5-pyrrolidin-2-yl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-pyrrolidin-2-yl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
PubChem CID175662113
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2-[5-pyrrolidin-2-yl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
SMILESOCCn1ncc(-c2ccnc(N3CCCC3)n2)c1C1CCCN1
InChIInChI=1S/C17H24N6O/c24-11-10-23-16(15-4-3-6-18-15)13(12-20-23)14-5-7-19-17(21-14)22-8-1-2-9-22/h5,7,12,15,18,24H,1-4,6,8-11H2
InChIKeySGHWLPJVUAHHFQ-UHFFFAOYSA-N
XLogP1.36
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-hydroxy-1-[(2S)-2-[1-(2-hydroxyethyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 92577895
2-[5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
CID 92577902
2-[5-[(2S)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
CID 124943122
2-[5-[(2R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
CID 92601869
4-(4-pyrrolidin-2-ylpyrimidin-2-yl)morpholine
CID 75485556
1-[2-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]pyrimidin-4-yl]piperidin-3-ol
CID 56746549
[(2S)-2-[1-(2-hydroxyethyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 124910301
2-(3-methylphenyl)-1-[(2S)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 92560656
2-(3-methylphenyl)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 92560655
2-[3-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
CID 110224817
2-(4-methoxyphenyl)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 92565994
2-[2-(1,4-diazepan-1-yl)pyrimidin-4-yl]phenol
CID 136967152

Frequently Asked Questions

What is the IUPAC name of 2-[5-pyrrolidin-2-yl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-pyrrolidin-2-yl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol (CID 175662113) is 2-[5-pyrrolidin-2-yl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-pyrrolidin-2-yl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-pyrrolidin-2-yl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol is OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1C1CCCN1.
What is the InChIKey of 2-[5-pyrrolidin-2-yl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol?
The InChIKey is SGHWLPJVUAHHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c24-11-10-23-16(15-4-3-6-18-15)13(12-20-23)14-5-7-19-17(21-14)22-8-1-2-9-22/h5,7,12,15,18,24H,1-4,6,8-11H2.
What are the key properties of 2-[5-pyrrolidin-2-yl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol?
2-[5-pyrrolidin-2-yl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol has a molecular weight of 328.42 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-pyrrolidin-2-yl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 175662113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).