4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]oxan-4-ol

C14H23N3O2 — CID 125008735

IUPAC4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]oxan-4-ol
SMILESCc1cn[nH]c1[C@@H]1CCN(CC2(O)CCOCC2)C1
InChIInChI=1S/C14H23N3O2/c1-11-8-15-16-13(11)12-2-5-17(9-12)10-14(18)3-6-19-7-4-14/h8,12,18H,2-7,9-10H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyUXGLDSBJTBZRCB-GFCCVEGCSA-N
MW265.36 g/mol
LogP1.05
Rot. Bonds3

About 4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]oxan-4-ol

4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]oxan-4-ol (PubChem CID 125008735) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]oxan-4-ol
PubChem CID125008735
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]oxan-4-ol
SMILESCc1cn[nH]c1[C@@H]1CCN(CC2(O)CCOCC2)C1
InChIInChI=1S/C14H23N3O2/c1-11-8-15-16-13(11)12-2-5-17(9-12)10-14(18)3-6-19-7-4-14/h8,12,18H,2-7,9-10H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyUXGLDSBJTBZRCB-GFCCVEGCSA-N
XLogP1.05
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]oxan-4-ol with MolForge

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Related Compounds

4-methyl-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole
CID 95841783
4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol
CID 124999428
4-methyl-5-(oxan-4-yl)-1H-pyrazole
CID 144872646
1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 95824362
4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol
CID 110114983
(5R)-3-ethyl-5-[[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole
CID 124758995
3-(4-methyl-1H-pyrazol-5-yl)-4-(oxan-4-yl)morpholine
CID 110132489
1-butyl-3-methyl-4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 125022886
1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110096331
4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol
CID 84734865
(3,5-difluorophenyl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124977219
4-[[(3S)-4-methyl-3-phenylpiperazin-1-yl]methyl]oxan-4-ol
CID 124966407

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]oxan-4-ol (CID 125008735) is 4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]oxan-4-ol is Cc1cn[nH]c1[C@@H]1CCN(CC2(O)CCOCC2)C1.
What is the InChIKey of 4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]oxan-4-ol?
The InChIKey is UXGLDSBJTBZRCB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-8-15-16-13(11)12-2-5-17(9-12)10-14(18)3-6-19-7-4-14/h8,12,18H,2-7,9-10H2,1H3,(H,15,16)/t12-/m1/s1.
What are the key properties of 4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]oxan-4-ol?
4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]oxan-4-ol has a molecular weight of 265.36 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]oxan-4-ol is sourced from PubChem (CID 125008735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).