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

C14H27N3O — CID 110906220

IUPAC2-[3,5-dimethyl-4-[(3-methylpentan-2-ylamino)methyl]pyrazol-1-yl]ethanol
SMILESCCC(C)C(C)NCc1c(C)nn(CCO)c1C
InChIInChI=1S/C14H27N3O/c1-6-10(2)11(3)15-9-14-12(4)16-17(7-8-18)13(14)5/h10-11,15,18H,6-9H2,1-5H3
InChIKeyYNPSCIDNVGZOIV-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.02
Rot. Bonds7

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

2-[3,5-dimethyl-4-[(3-methylpentan-2-ylamino)methyl]pyrazol-1-yl]ethanol (PubChem CID 110906220) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[(3-methylpentan-2-ylamino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[(3-methylpentan-2-ylamino)methyl]pyrazol-1-yl]ethanol
PubChem CID110906220
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[3,5-dimethyl-4-[(3-methylpentan-2-ylamino)methyl]pyrazol-1-yl]ethanol
SMILESCCC(C)C(C)NCc1c(C)nn(CCO)c1C
InChIInChI=1S/C14H27N3O/c1-6-10(2)11(3)15-9-14-12(4)16-17(7-8-18)13(14)5/h10-11,15,18H,6-9H2,1-5H3
InChIKeyYNPSCIDNVGZOIV-UHFFFAOYSA-N
XLogP2.02
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-dimethyl-4-[(3-methylbutan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 110905540
2-[3,5-dimethyl-4-[[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol
CID 95277089
2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]propan-1-ol
CID 115696021
2-[4-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905546
2-[3,5-dimethyl-4-[(pentylamino)methyl]pyrazol-1-yl]ethanol
CID 110905500
2-[3,5-dimethyl-4-[[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]methyl]pyrazol-1-yl]ethanol
CID 95286892
(2S)-2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 111150707
2-[4-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110908367
N-[[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 80693701
2-[3,5-dimethyl-4-[[4-(1-methylpyrrol-2-yl)butan-2-ylamino]methyl]pyrazol-1-yl]ethanol
CID 111468987
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride
CID 75530696
2-[3,5-dimethyl-4-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol
CID 95582519

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[(3-methylpentan-2-ylamino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-4-[(3-methylpentan-2-ylamino)methyl]pyrazol-1-yl]ethanol (CID 110906220) is 2-[3,5-dimethyl-4-[(3-methylpentan-2-ylamino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-4-[(3-methylpentan-2-ylamino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-4-[(3-methylpentan-2-ylamino)methyl]pyrazol-1-yl]ethanol is CCC(C)C(C)NCc1c(C)nn(CCO)c1C.
What is the InChIKey of 2-[3,5-dimethyl-4-[(3-methylpentan-2-ylamino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is YNPSCIDNVGZOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-6-10(2)11(3)15-9-14-12(4)16-17(7-8-18)13(14)5/h10-11,15,18H,6-9H2,1-5H3.
What are the key properties of 2-[3,5-dimethyl-4-[(3-methylpentan-2-ylamino)methyl]pyrazol-1-yl]ethanol?
2-[3,5-dimethyl-4-[(3-methylpentan-2-ylamino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 253.39 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[(3-methylpentan-2-ylamino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 110906220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).