5-[5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]-1H-pyrazole

C19H21N3OS — CID 56912082

IUPAC5-[5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]-1H-pyrazole
SMILESCOc1cccc(C2CCCN2Cc2ccc(-c3ccn[nH]3)s2)c1
InChIInChI=1S/C19H21N3OS/c1-23-15-5-2-4-14(12-15)18-6-3-11-22(18)13-16-7-8-19(24-16)17-9-10-20-21-17/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,20,21)
InChIKeyPMNVVXVETCVCGR-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.48
Rot. Bonds5

About 5-[5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]-1H-pyrazole

5-[5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]-1H-pyrazole (PubChem CID 56912082) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 5-[5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]-1H-pyrazole
PubChem CID56912082
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name5-[5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]-1H-pyrazole
SMILESCOc1cccc(C2CCCN2Cc2ccc(-c3ccn[nH]3)s2)c1
InChIInChI=1S/C19H21N3OS/c1-23-15-5-2-4-14(12-15)18-6-3-11-22(18)13-16-7-8-19(24-16)17-9-10-20-21-17/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,20,21)
InChIKeyPMNVVXVETCVCGR-UHFFFAOYSA-N
XLogP4.48
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-5-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole
CID 28634815
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
4-[5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine
CID 92626570
2-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 118771820
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278
4-ethyl-3-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2,4-triazole
CID 97211558
1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 110096187
5-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole
CID 124591281
4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 122138322
3-[5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 131933909
5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 51075931
4-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 41415182

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]-1H-pyrazole?
The IUPAC name of 5-[5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]-1H-pyrazole (CID 56912082) is 5-[5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]-1H-pyrazole.
What is the SMILES notation for 5-[5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]-1H-pyrazole?
The canonical SMILES for 5-[5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]-1H-pyrazole is COc1cccc(C2CCCN2Cc2ccc(-c3ccn[nH]3)s2)c1.
What is the InChIKey of 5-[5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]-1H-pyrazole?
The InChIKey is PMNVVXVETCVCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-23-15-5-2-4-14(12-15)18-6-3-11-22(18)13-16-7-8-19(24-16)17-9-10-20-21-17/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,20,21).
What are the key properties of 5-[5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]-1H-pyrazole?
5-[5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]-1H-pyrazole has a molecular weight of 339.46 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]-1H-pyrazole is sourced from PubChem (CID 56912082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).