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

C13H19N3OS — CID 110905525

IUPAC2-[3,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNCc1cccs1
InChIInChI=1S/C13H19N3OS/c1-10-13(11(2)16(15-10)5-6-17)9-14-8-12-4-3-7-18-12/h3-4,7,14,17H,5-6,8-9H2,1-2H3
InChIKeyVJQOQOQGGOJIPN-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.84
Rot. Bonds6

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

2-[3,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrazol-1-yl]ethanol (PubChem CID 110905525) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrazol-1-yl]ethanol
PubChem CID110905525
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-[3,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNCc1cccs1
InChIInChI=1S/C13H19N3OS/c1-10-13(11(2)16(15-10)5-6-17)9-14-8-12-4-3-7-18-12/h3-4,7,14,17H,5-6,8-9H2,1-2H3
InChIKeyVJQOQOQGGOJIPN-UHFFFAOYSA-N
XLogP1.84
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-dimethyl-4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]pyrazol-1-yl]ethanol
CID 110905481
2-[4-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 95582527
2-[4-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 47615988
2-[3,5-dimethyl-4-[(pentylamino)methyl]pyrazol-1-yl]ethanol
CID 110905500
2-[3,5-dimethyl-4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
CID 110905622
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126967664
2-[4-[(2-bromoprop-2-enylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol;hydrochloride
CID 115614732
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111260305
2-[3,5-dimethyl-4-[[(6-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 110905729
2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905557
2-[4-[[(2-cyclopentyloxy-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 47615834
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43644955

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrazol-1-yl]ethanol (CID 110905525) is 2-[3,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNCc1cccs1.
What is the InChIKey of 2-[3,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is VJQOQOQGGOJIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-10-13(11(2)16(15-10)5-6-17)9-14-8-12-4-3-7-18-12/h3-4,7,14,17H,5-6,8-9H2,1-2H3.
What are the key properties of 2-[3,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrazol-1-yl]ethanol?
2-[3,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 265.38 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 110905525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).