5-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole

C15H19N3O — CID 124591281

IUPAC5-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole
SMILESCOc1ccc([C@@H]2CCCN2Cc2ccn[nH]2)cc1
InChIInChI=1S/C15H19N3O/c1-19-14-6-4-12(5-7-14)15-3-2-10-18(15)11-13-8-9-16-17-13/h4-9,15H,2-3,10-11H2,1H3,(H,16,17)/t15-/m0/s1
InChIKeyARKKPMNQKIEQKW-HNNXBMFYSA-N
MW257.34 g/mol
LogP2.76
Rot. Bonds4

About 5-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole

5-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole (PubChem CID 124591281) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole
PubChem CID124591281
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole
SMILESCOc1ccc([C@@H]2CCCN2Cc2ccn[nH]2)cc1
InChIInChI=1S/C15H19N3O/c1-19-14-6-4-12(5-7-14)15-3-2-10-18(15)11-13-8-9-16-17-13/h4-9,15H,2-3,10-11H2,1H3,(H,16,17)/t15-/m0/s1
InChIKeyARKKPMNQKIEQKW-HNNXBMFYSA-N
XLogP2.76
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine
CID 127245045
(2R)-1-ethyl-2-(4-methoxyphenyl)pyrrolidine
CID 124500800
[4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 110008065
1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine
CID 120910371
5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 110256906
1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
CID 20895836
5-[5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]-1H-pyrazole
CID 56912082
2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid
CID 24845352
3-cyclopropyl-5-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole
CID 28634815
4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 122138322
7-[(2S)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]imidazo[1,2-a]pyrimidine
CID 125007862

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole?
The IUPAC name of 5-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole (CID 124591281) is 5-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole.
What is the SMILES notation for 5-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole?
The canonical SMILES for 5-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole is COc1ccc([C@@H]2CCCN2Cc2ccn[nH]2)cc1.
What is the InChIKey of 5-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole?
The InChIKey is ARKKPMNQKIEQKW-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-14-6-4-12(5-7-14)15-3-2-10-18(15)11-13-8-9-16-17-13/h4-9,15H,2-3,10-11H2,1H3,(H,16,17)/t15-/m0/s1.
What are the key properties of 5-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole?
5-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole has a molecular weight of 257.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole is sourced from PubChem (CID 124591281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).