2-[3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-5-yl]ethanol

C15H23N5O — CID 95824466

IUPAC2-[3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-5-yl]ethanol
SMILESCn1cc(CN2CCC[C@H](c3cc(CCO)[nH]n3)C2)cn1
InChIInChI=1S/C15H23N5O/c1-19-9-12(8-16-19)10-20-5-2-3-13(11-20)15-7-14(4-6-21)17-18-15/h7-9,13,21H,2-6,10-11H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyDKYXCLSYJFZDBL-ZDUSSCGKSA-N
MW289.38 g/mol
LogP1.06
Rot. Bonds5

About 2-[3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-5-yl]ethanol

2-[3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-5-yl]ethanol (PubChem CID 95824466) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-5-yl]ethanol
PubChem CID95824466
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-[3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-5-yl]ethanol
SMILESCn1cc(CN2CCC[C@H](c3cc(CCO)[nH]n3)C2)cn1
InChIInChI=1S/C15H23N5O/c1-19-9-12(8-16-19)10-20-5-2-3-13(11-20)15-7-14(4-6-21)17-18-15/h7-9,13,21H,2-6,10-11H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyDKYXCLSYJFZDBL-ZDUSSCGKSA-N
XLogP1.06
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-5-yl]ethanol with MolForge

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Related Compounds

(3R)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
CID 97004575
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004471
2-[3-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol
CID 110271015
4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 110271006
4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]benzoic acid
CID 97201982
[3-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110270992
2-[3-(1-cyclopentylpyrrolidin-3-yl)-1H-pyrazol-5-yl]ethanol
CID 127252335
(3S)-3-(2-methylphenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 95872001
2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
CID 95810295
2-(3-methylphenyl)-6-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
CID 110249816
[3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-1H-pyrazol-5-yl]methanol
CID 95842997
[2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110271090

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-5-yl]ethanol?
The IUPAC name of 2-[3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-5-yl]ethanol (CID 95824466) is 2-[3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-5-yl]ethanol?
The canonical SMILES for 2-[3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-5-yl]ethanol is Cn1cc(CN2CCC[C@H](c3cc(CCO)[nH]n3)C2)cn1.
What is the InChIKey of 2-[3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-5-yl]ethanol?
The InChIKey is DKYXCLSYJFZDBL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N5O/c1-19-9-12(8-16-19)10-20-5-2-3-13(11-20)15-7-14(4-6-21)17-18-15/h7-9,13,21H,2-6,10-11H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of 2-[3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-5-yl]ethanol?
2-[3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-5-yl]ethanol has a molecular weight of 289.38 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-5-yl]ethanol is sourced from PubChem (CID 95824466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).