3,5-dimethyl-1-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazole

C14H19N3S — CID 50978885

IUPAC3,5-dimethyl-1-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazole
SMILESCc1cc(C)n(C2CCN(Cc3ccsc3)C2)n1
InChIInChI=1S/C14H19N3S/c1-11-7-12(2)17(15-11)14-3-5-16(9-14)8-13-4-6-18-10-13/h4,6-7,10,14H,3,5,8-9H2,1-2H3
InChIKeyNJEIJSPWPDQUIC-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.01
Rot. Bonds3

About 3,5-dimethyl-1-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazole

3,5-dimethyl-1-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazole (PubChem CID 50978885) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 3,5-dimethyl-1-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazole
PubChem CID50978885
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name3,5-dimethyl-1-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazole
SMILESCc1cc(C)n(C2CCN(Cc3ccsc3)C2)n1
InChIInChI=1S/C14H19N3S/c1-11-7-12(2)17(15-11)14-3-5-16(9-14)8-13-4-6-18-10-13/h4,6-7,10,14H,3,5,8-9H2,1-2H3
InChIKeyNJEIJSPWPDQUIC-UHFFFAOYSA-N
XLogP3.01
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole
CID 56905482
3,5-dimethyl-1-[(3R)-1-[(2,3,4-trifluorophenyl)methyl]pyrrolidin-3-yl]pyrazole
CID 95725333
4-[[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1-ethylpyrrole-2-carbonitrile
CID 95714599
4-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1-ethylpyrrole-2-carbonitrile
CID 56891678
3-[5-[[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole
CID 95129613
[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62068989
2-[2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrrol-1-yl]pyrimidine
CID 50972341
3-bromo-1-(thiophen-3-ylmethyl)pyrrolidine
CID 80675822
1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
CID 62916311
4-methyl-2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 129406988
[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanol
CID 129367813
2-[[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 124753304

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazole?
The IUPAC name of 3,5-dimethyl-1-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazole (CID 50978885) is 3,5-dimethyl-1-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazole?
The canonical SMILES for 3,5-dimethyl-1-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazole is Cc1cc(C)n(C2CCN(Cc3ccsc3)C2)n1.
What is the InChIKey of 3,5-dimethyl-1-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazole?
The InChIKey is NJEIJSPWPDQUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-11-7-12(2)17(15-11)14-3-5-16(9-14)8-13-4-6-18-10-13/h4,6-7,10,14H,3,5,8-9H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazole?
3,5-dimethyl-1-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazole has a molecular weight of 261.39 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazole is sourced from PubChem (CID 50978885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).