2-[3,5-dimethyl-4-[[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol

C15H25N5O — CID 95277089

IUPAC2-[3,5-dimethyl-4-[[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CN[C@H](C)[C@H](C)n1cccn1
InChIInChI=1S/C15H25N5O/c1-11(13(3)19-7-5-6-17-19)16-10-15-12(2)18-20(8-9-21)14(15)4/h5-7,11,13,16,21H,8-10H2,1-4H3/t11-,13+/m1/s1
InChIKeyIDJPVRBGJHLVHO-YPMHNXCESA-N
MW291.40 g/mol
LogP1.43
Rot. Bonds7

About 2-[3,5-dimethyl-4-[[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol

2-[3,5-dimethyl-4-[[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol (PubChem CID 95277089) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol
PubChem CID95277089
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name2-[3,5-dimethyl-4-[[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CN[C@H](C)[C@H](C)n1cccn1
InChIInChI=1S/C15H25N5O/c1-11(13(3)19-7-5-6-17-19)16-10-15-12(2)18-20(8-9-21)14(15)4/h5-7,11,13,16,21H,8-10H2,1-4H3/t11-,13+/m1/s1
InChIKeyIDJPVRBGJHLVHO-YPMHNXCESA-N
XLogP1.43
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3,5-dimethyl-4-[[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol with MolForge

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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-[(3-methylpentan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 110906220
2-[3,5-dimethyl-4-[[4-(1-methylpyrrol-2-yl)butan-2-ylamino]methyl]pyrazol-1-yl]ethanol
CID 111468987
(2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276363
2-[3,5-dimethyl-4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
CID 110905622
2-[3,5-dimethyl-4-[[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]methyl]pyrazol-1-yl]ethanol
CID 95286892
2-[3,5-dimethyl-4-[(4-pyrazol-1-ylanilino)methyl]pyrazol-1-yl]ethanol
CID 110905750
2-[3,5-dimethyl-4-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]pyrazol-1-yl]ethanol
CID 110928980
(2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95274249
2-[4-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905546
(2S,3S)-3-pyrazol-1-yl-N-(pyridin-4-ylmethyl)butan-2-amine
CID 95277106
2-[3,5-dimethyl-4-[[(6-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 110905729

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-4-[[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol (CID 95277089) is 2-[3,5-dimethyl-4-[[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-4-[[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-4-[[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CN[C@H](C)[C@H](C)n1cccn1.
What is the InChIKey of 2-[3,5-dimethyl-4-[[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is IDJPVRBGJHLVHO-YPMHNXCESA-N. The full InChI is InChI=1S/C15H25N5O/c1-11(13(3)19-7-5-6-17-19)16-10-15-12(2)18-20(8-9-21)14(15)4/h5-7,11,13,16,21H,8-10H2,1-4H3/t11-,13+/m1/s1.
What are the key properties of 2-[3,5-dimethyl-4-[[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol?
2-[3,5-dimethyl-4-[[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 291.40 g/mol, XLogP of 1.43, 7 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-[[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 95277089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).