1-[[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole

C17H23N3O — CID 99937518

IUPAC1-[[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole
SMILESCOC[C@H]1CCN(Cc2cccc(Cn3cccn3)c2)C1
InChIInChI=1S/C17H23N3O/c1-21-14-17-6-9-19(12-17)11-15-4-2-5-16(10-15)13-20-8-3-7-18-20/h2-5,7-8,10,17H,6,9,11-14H2,1H3/t17-/m0/s1
InChIKeyHEDKPVBPMBBDKB-KRWDZBQOSA-N
MW285.39 g/mol
LogP2.40
Rot. Bonds6

About 1-[[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole

1-[[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole (PubChem CID 99937518) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole.

Molecular Properties

Compound Name1-[[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole
PubChem CID99937518
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole
SMILESCOC[C@H]1CCN(Cc2cccc(Cn3cccn3)c2)C1
InChIInChI=1S/C17H23N3O/c1-21-14-17-6-9-19(12-17)11-15-4-2-5-16(10-15)13-20-8-3-7-18-20/h2-5,7-8,10,17H,6,9,11-14H2,1H3/t17-/m0/s1
InChIKeyHEDKPVBPMBBDKB-KRWDZBQOSA-N
XLogP2.40
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine
CID 64583996
3-(methoxymethyl)-N'-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111736627
2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 64569738
3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]benzenecarbothioamide
CID 64599126
1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
CID 141348331
(4S)-N,N-dimethyl-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]azepan-4-amine
CID 95729068
4-piperidin-4-yl-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine
CID 146039698
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine
CID 63980069
1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495312
[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]boronic acid
CID 63972357
5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(3-methylphenyl)pyrimidine
CID 99939084
5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(3-methylphenyl)pyrimidine
CID 77090077

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole?
The IUPAC name of 1-[[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole (CID 99937518) is 1-[[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole.
What is the SMILES notation for 1-[[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole?
The canonical SMILES for 1-[[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole is COC[C@H]1CCN(Cc2cccc(Cn3cccn3)c2)C1.
What is the InChIKey of 1-[[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole?
The InChIKey is HEDKPVBPMBBDKB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23N3O/c1-21-14-17-6-9-19(12-17)11-15-4-2-5-16(10-15)13-20-8-3-7-18-20/h2-5,7-8,10,17H,6,9,11-14H2,1H3/t17-/m0/s1.
What are the key properties of 1-[[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole?
1-[[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole has a molecular weight of 285.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole is sourced from PubChem (CID 99937518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).