1,5-dimethyl-4-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrazole

C14H19N3S — CID 84593793

IUPAC1,5-dimethyl-4-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrazole
SMILESCc1c(C2CCCN2Cc2ccsc2)cnn1C
InChIInChI=1S/C14H19N3S/c1-11-13(8-15-16(11)2)14-4-3-6-17(14)9-12-5-7-18-10-12/h5,7-8,10,14H,3-4,6,9H2,1-2H3
InChIKeyOKNSEWGZXGGJMI-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.13
Rot. Bonds3

About 1,5-dimethyl-4-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrazole

1,5-dimethyl-4-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrazole (PubChem CID 84593793) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1,5-dimethyl-4-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrazole.

Molecular Properties

Compound Name1,5-dimethyl-4-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrazole
PubChem CID84593793
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name1,5-dimethyl-4-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrazole
SMILESCc1c(C2CCCN2Cc2ccsc2)cnn1C
InChIInChI=1S/C14H19N3S/c1-11-13(8-15-16(11)2)14-4-3-6-17(14)9-12-5-7-18-10-12/h5,7-8,10,14H,3-4,6,9H2,1-2H3
InChIKeyOKNSEWGZXGGJMI-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-4-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
CID 95124993
4-[4-[[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide
CID 175807196
4-methyl-6-(1-methylimidazol-2-yl)-2-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine
CID 125019841
4-methyl-6-(5-methyl-1H-imidazol-2-yl)-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine
CID 110110520
2-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidine
CID 63387601
4-(1H-imidazol-2-yl)-6-methyl-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine
CID 110110518
(3aR,6aR)-4-[(1-methylpyrazol-4-yl)methyl]-1-(thiophen-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 125188104
5-methyl-7-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]imidazo[5,1-b][1,3]thiazole
CID 124962092
2-cyclobutyl-5-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]-1,3,4-oxadiazole
CID 129486644
(2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 67253384
N-(2-thiophen-3-ylethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 56780721
N-[[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581623

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrazole?
The IUPAC name of 1,5-dimethyl-4-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrazole (CID 84593793) is 1,5-dimethyl-4-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrazole.
What is the SMILES notation for 1,5-dimethyl-4-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrazole?
The canonical SMILES for 1,5-dimethyl-4-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrazole is Cc1c(C2CCCN2Cc2ccsc2)cnn1C.
What is the InChIKey of 1,5-dimethyl-4-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrazole?
The InChIKey is OKNSEWGZXGGJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-11-13(8-15-16(11)2)14-4-3-6-17(14)9-12-5-7-18-10-12/h5,7-8,10,14H,3-4,6,9H2,1-2H3.
What are the key properties of 1,5-dimethyl-4-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrazole?
1,5-dimethyl-4-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrazole has a molecular weight of 261.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrazole is sourced from PubChem (CID 84593793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).