2-[3-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol

C25H38N6O — CID 110224817

IUPAC2-[3-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2ccnc(N3CCCC3)n2)c(C2CCCN(CC3CCCCC3)C2)n1
InChIInChI=1S/C25H38N6O/c32-16-15-31-19-22(23-10-11-26-25(27-23)30-13-4-5-14-30)24(28-31)21-9-6-12-29(18-21)17-20-7-2-1-3-8-20/h10-11,19-21,32H,1-9,12-18H2
InChIKeyZKWZRPAWMWHLJO-UHFFFAOYSA-N
MW438.62 g/mol
LogP3.69
Rot. Bonds7

About 2-[3-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol

2-[3-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol (PubChem CID 110224817) has the molecular formula C25H38N6O and a molecular weight of 438.62 g/mol. Its IUPAC name is 2-[3-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
PubChem CID110224817
Molecular FormulaC25H38N6O
Molecular Weight438.62 g/mol
Exact Mass438.31
IUPAC Name2-[3-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2ccnc(N3CCCC3)n2)c(C2CCCN(CC3CCCCC3)C2)n1
InChIInChI=1S/C25H38N6O/c32-16-15-31-19-22(23-10-11-26-25(27-23)30-13-4-5-14-30)24(28-31)21-9-6-12-29(18-21)17-20-7-2-1-3-8-20/h10-11,19-21,32H,1-9,12-18H2
InChIKeyZKWZRPAWMWHLJO-UHFFFAOYSA-N
XLogP3.69
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclopentyl-1-[(3R)-3-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 92566682
[(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
4-[3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine
CID 92566725
[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 92566665
2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidine
CID 45232120
2-[5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
CID 92577902
2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine
CID 51505424
4-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(methoxymethyl)pyrimidine
CID 71891333
2-[5-pyrrolidin-2-yl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol
CID 175662113
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-hydroxy-1-[(2S)-2-[1-(2-hydroxyethyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 92577895
4-[5-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine
CID 92574725

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol (CID 110224817) is 2-[3-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol is OCCn1cc(-c2ccnc(N3CCCC3)n2)c(C2CCCN(CC3CCCCC3)C2)n1.
What is the InChIKey of 2-[3-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol?
The InChIKey is ZKWZRPAWMWHLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6O/c32-16-15-31-19-22(23-10-11-26-25(27-23)30-13-4-5-14-30)24(28-31)21-9-6-12-29(18-21)17-20-7-2-1-3-8-20/h10-11,19-21,32H,1-9,12-18H2.
What are the key properties of 2-[3-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol?
2-[3-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol has a molecular weight of 438.62 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(cyclohexylmethyl)piperidin-3-yl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 110224817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).