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

C13H25N3O — CID 110905540

IUPAC2-[3,5-dimethyl-4-[(3-methylbutan-2-ylamino)methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC(C)C(C)C
InChIInChI=1S/C13H25N3O/c1-9(2)10(3)14-8-13-11(4)15-16(6-7-17)12(13)5/h9-10,14,17H,6-8H2,1-5H3
InChIKeyBLCGAGBTLLJLDO-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.63
Rot. Bonds6

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

2-[3,5-dimethyl-4-[(3-methylbutan-2-ylamino)methyl]pyrazol-1-yl]ethanol (PubChem CID 110905540) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[(3-methylbutan-2-ylamino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[(3-methylbutan-2-ylamino)methyl]pyrazol-1-yl]ethanol
PubChem CID110905540
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[3,5-dimethyl-4-[(3-methylbutan-2-ylamino)methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC(C)C(C)C
InChIInChI=1S/C13H25N3O/c1-9(2)10(3)14-8-13-11(4)15-16(6-7-17)12(13)5/h9-10,14,17H,6-8H2,1-5H3
InChIKeyBLCGAGBTLLJLDO-UHFFFAOYSA-N
XLogP1.63
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-dimethyl-4-[(3-methylpentan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 110906220
2-[3,5-dimethyl-4-[[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol
CID 95277089
(2S)-2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 111150707
2-[4-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905546
2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]propan-1-ol
CID 115696021
2-[3,5-dimethyl-4-[[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]methyl]pyrazol-1-yl]ethanol
CID 95286892
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
2-[3,5-dimethyl-4-[(pentylamino)methyl]pyrazol-1-yl]ethanol
CID 110905500
2-[3,5-dimethyl-4-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol
CID 95582519
3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 111469187

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[(3-methylbutan-2-ylamino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-4-[(3-methylbutan-2-ylamino)methyl]pyrazol-1-yl]ethanol (CID 110905540) is 2-[3,5-dimethyl-4-[(3-methylbutan-2-ylamino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-4-[(3-methylbutan-2-ylamino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-4-[(3-methylbutan-2-ylamino)methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNC(C)C(C)C.
What is the InChIKey of 2-[3,5-dimethyl-4-[(3-methylbutan-2-ylamino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is BLCGAGBTLLJLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9(2)10(3)14-8-13-11(4)15-16(6-7-17)12(13)5/h9-10,14,17H,6-8H2,1-5H3.
What are the key properties of 2-[3,5-dimethyl-4-[(3-methylbutan-2-ylamino)methyl]pyrazol-1-yl]ethanol?
2-[3,5-dimethyl-4-[(3-methylbutan-2-ylamino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 239.36 g/mol, XLogP of 1.63, 6 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-methylbutan-2-ylamino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 110905540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).