1-methyl-4-[3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyrazole

C15H19N3O — CID 91112359

IUPAC1-methyl-4-[3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyrazole
SMILESCn1cc(-c2cccc(OC[C@H]3CCCN3)c2)cn1
InChIInChI=1S/C15H19N3O/c1-18-10-13(9-17-18)12-4-2-6-15(8-12)19-11-14-5-3-7-16-14/h2,4,6,8-10,14,16H,3,5,7,11H2,1H3/t14-/m1/s1
InChIKeyUFCFSIVCNZHYAW-CQSZACIVSA-N
MW257.34 g/mol
LogP2.22
Rot. Bonds4

About 1-methyl-4-[3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyrazole

1-methyl-4-[3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyrazole (PubChem CID 91112359) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-methyl-4-[3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyrazole.

Molecular Properties

Compound Name1-methyl-4-[3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyrazole
PubChem CID91112359
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-methyl-4-[3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyrazole
SMILESCn1cc(-c2cccc(OC[C@H]3CCCN3)c2)cn1
InChIInChI=1S/C15H19N3O/c1-18-10-13(9-17-18)12-4-2-6-15(8-12)19-11-14-5-3-7-16-14/h2,4,6,8-10,14,16H,3,5,7,11H2,1H3/t14-/m1/s1
InChIKeyUFCFSIVCNZHYAW-CQSZACIVSA-N
XLogP2.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-nitrophenoxy)methyl]pyrrolidine;hydrochloride
CID 67804264
(2R)-2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine
CID 102820162
2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine
CID 63985573
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 10535320
3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol
CID 59371346
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
CID 138393569
5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine
CID 22961876
1-(3-chlorophenyl)-4-(pyrrolidin-2-ylmethoxy)pyrazole
CID 117230301
3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 54162908
methyl 3-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate
CID 162750790
N-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide
CID 91246967

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyrazole?
The IUPAC name of 1-methyl-4-[3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyrazole (CID 91112359) is 1-methyl-4-[3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyrazole.
What is the SMILES notation for 1-methyl-4-[3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyrazole?
The canonical SMILES for 1-methyl-4-[3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyrazole is Cn1cc(-c2cccc(OC[C@H]3CCCN3)c2)cn1.
What is the InChIKey of 1-methyl-4-[3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyrazole?
The InChIKey is UFCFSIVCNZHYAW-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-10-13(9-17-18)12-4-2-6-15(8-12)19-11-14-5-3-7-16-14/h2,4,6,8-10,14,16H,3,5,7,11H2,1H3/t14-/m1/s1.
What are the key properties of 1-methyl-4-[3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyrazole?
1-methyl-4-[3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyrazole has a molecular weight of 257.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyrazole is sourced from PubChem (CID 91112359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).