2,3-dimethyl-1-(4-pyrazol-1-ylbutan-2-ylamino)pentan-2-ol

C14H27N3O — CID 110012210

IUPAC2,3-dimethyl-1-(4-pyrazol-1-ylbutan-2-ylamino)pentan-2-ol
SMILESCCC(C)C(C)(O)CNC(C)CCn1cccn1
InChIInChI=1S/C14H27N3O/c1-5-12(2)14(4,18)11-15-13(3)7-10-17-9-6-8-16-17/h6,8-9,12-13,15,18H,5,7,10-11H2,1-4H3
InChIKeyOIVPJPJELOWXDI-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.05
Rot. Bonds8

About 2,3-dimethyl-1-(4-pyrazol-1-ylbutan-2-ylamino)pentan-2-ol

2,3-dimethyl-1-(4-pyrazol-1-ylbutan-2-ylamino)pentan-2-ol (PubChem CID 110012210) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2,3-dimethyl-1-(4-pyrazol-1-ylbutan-2-ylamino)pentan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(4-pyrazol-1-ylbutan-2-ylamino)pentan-2-ol
PubChem CID110012210
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2,3-dimethyl-1-(4-pyrazol-1-ylbutan-2-ylamino)pentan-2-ol
SMILESCCC(C)C(C)(O)CNC(C)CCn1cccn1
InChIInChI=1S/C14H27N3O/c1-5-12(2)14(4,18)11-15-13(3)7-10-17-9-6-8-16-17/h6,8-9,12-13,15,18H,5,7,10-11H2,1-4H3
InChIKeyOIVPJPJELOWXDI-UHFFFAOYSA-N
XLogP2.05
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
CID 115977842
(2R)-1-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol
CID 103952260
N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine
CID 115976552
N-methyl-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide
CID 115977436
(2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
CID 103952125
2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol
CID 65337680
N-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine
CID 115977569
N-(cyclobutylmethyl)-4-pyrazol-1-ylbutan-2-amine
CID 115977534
1-(2-hydroxy-2,3-dimethylpentyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 111120887
1-phenyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol
CID 110012165
4-(4-pyrazol-1-ylbutan-2-ylamino)oxolan-3-ol
CID 115977930
tert-butyl (3S,4R)-3-hydroxy-4-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrrolidine-1-carboxylate
CID 124874421

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(4-pyrazol-1-ylbutan-2-ylamino)pentan-2-ol?
The IUPAC name of 2,3-dimethyl-1-(4-pyrazol-1-ylbutan-2-ylamino)pentan-2-ol (CID 110012210) is 2,3-dimethyl-1-(4-pyrazol-1-ylbutan-2-ylamino)pentan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-(4-pyrazol-1-ylbutan-2-ylamino)pentan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-(4-pyrazol-1-ylbutan-2-ylamino)pentan-2-ol is CCC(C)C(C)(O)CNC(C)CCn1cccn1.
What is the InChIKey of 2,3-dimethyl-1-(4-pyrazol-1-ylbutan-2-ylamino)pentan-2-ol?
The InChIKey is OIVPJPJELOWXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-12(2)14(4,18)11-15-13(3)7-10-17-9-6-8-16-17/h6,8-9,12-13,15,18H,5,7,10-11H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-(4-pyrazol-1-ylbutan-2-ylamino)pentan-2-ol?
2,3-dimethyl-1-(4-pyrazol-1-ylbutan-2-ylamino)pentan-2-ol has a molecular weight of 253.39 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(4-pyrazol-1-ylbutan-2-ylamino)pentan-2-ol is sourced from PubChem (CID 110012210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).