3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrrolidin-3-ol

C15H26N4O — CID 70733539

IUPAC3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrrolidin-3-ol
SMILESOC1(CN2CCC(CCn3cccn3)CC2)CCNC1
InChIInChI=1S/C15H26N4O/c20-15(5-7-16-12-15)13-18-9-2-14(3-10-18)4-11-19-8-1-6-17-19/h1,6,8,14,16,20H,2-5,7,9-13H2
InChIKeyQGFWPICBOPQYCC-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.71
Rot. Bonds5

About 3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrrolidin-3-ol

3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrrolidin-3-ol (PubChem CID 70733539) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrrolidin-3-ol
PubChem CID70733539
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrrolidin-3-ol
SMILESOC1(CN2CCC(CCn3cccn3)CC2)CCNC1
InChIInChI=1S/C15H26N4O/c20-15(5-7-16-12-15)13-18-9-2-14(3-10-18)4-11-19-8-1-6-17-19/h1,6,8,14,16,20H,2-5,7,9-13H2
InChIKeyQGFWPICBOPQYCC-UHFFFAOYSA-N
XLogP0.71
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(oxan-4-yl)ethyl]pyrazole
CID 131203572
3-(azocan-1-ylmethyl)pyrrolidin-3-ol
CID 84679274
3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol;dihydrochloride
CID 146675401
3-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol
CID 164648785
1-phenyl-4-[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]piperazine
CID 91831285
4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56754929
3-(morpholin-4-ylmethyl)pyrrolidin-3-ol;dihydrochloride
CID 146675400
(4R)-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 97116586
1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(2-pyrazol-1-ylethyl)piperidine
CID 70727682
4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 118792608
(3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]piperidin-2-one
CID 42214263
3-[(3-methylazetidin-1-yl)methyl]pyrrolidin-3-ol
CID 126983391

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrrolidin-3-ol (CID 70733539) is 3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrrolidin-3-ol is OC1(CN2CCC(CCn3cccn3)CC2)CCNC1.
What is the InChIKey of 3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrrolidin-3-ol?
The InChIKey is QGFWPICBOPQYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c20-15(5-7-16-12-15)13-18-9-2-14(3-10-18)4-11-19-8-1-6-17-19/h1,6,8,14,16,20H,2-5,7,9-13H2.
What are the key properties of 3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrrolidin-3-ol?
3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrrolidin-3-ol has a molecular weight of 278.40 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 70733539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).