2-[3,5-dimethyl-4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]pyrazol-1-yl]ethanol

C18H28N4OS — CID 110905481

IUPAC2-[3,5-dimethyl-4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNCC(c1cccs1)N1CCCC1
InChIInChI=1S/C18H28N4OS/c1-14-16(15(2)22(20-14)9-10-23)12-19-13-17(18-6-5-11-24-18)21-7-3-4-8-21/h5-6,11,17,19,23H,3-4,7-10,12-13H2,1-2H3
InChIKeyUPVKKDOSFXIUAX-UHFFFAOYSA-N
MW348.52 g/mol
LogP2.48
Rot. Bonds8

About 2-[3,5-dimethyl-4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]pyrazol-1-yl]ethanol

2-[3,5-dimethyl-4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]pyrazol-1-yl]ethanol (PubChem CID 110905481) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]pyrazol-1-yl]ethanol
PubChem CID110905481
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC Name2-[3,5-dimethyl-4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNCC(c1cccs1)N1CCCC1
InChIInChI=1S/C18H28N4OS/c1-14-16(15(2)22(20-14)9-10-23)12-19-13-17(18-6-5-11-24-18)21-7-3-4-8-21/h5-6,11,17,19,23H,3-4,7-10,12-13H2,1-2H3
InChIKeyUPVKKDOSFXIUAX-UHFFFAOYSA-N
XLogP2.48
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3,5-dimethyl-4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

2-[3,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrazol-1-yl]ethanol
CID 110905525
1-ethyl-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111011624
N-[4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide
CID 47009041
2-pyrrolidin-1-yl-2-thiophen-2-ylethanamine
CID 3733262
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111783891
(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethanamine
CID 9079352
2-[3,5-dimethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-1-yl]ethanol
CID 47614737
2-[4-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 47615988
2-[4-[[(1-benzylcyclopentyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110007090
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 47009029
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 46522611
2-[4-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 95582527

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]pyrazol-1-yl]ethanol (CID 110905481) is 2-[3,5-dimethyl-4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNCC(c1cccs1)N1CCCC1.
What is the InChIKey of 2-[3,5-dimethyl-4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is UPVKKDOSFXIUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-14-16(15(2)22(20-14)9-10-23)12-19-13-17(18-6-5-11-24-18)21-7-3-4-8-21/h5-6,11,17,19,23H,3-4,7-10,12-13H2,1-2H3.
What are the key properties of 2-[3,5-dimethyl-4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]pyrazol-1-yl]ethanol?
2-[3,5-dimethyl-4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 348.52 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 110905481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).