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

C12H23N3O — CID 115977842

IUPAC2,2-dimethyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
SMILESCC(CCn1cccn1)NCC(C)(C)CO
InChIInChI=1S/C12H23N3O/c1-11(13-9-12(2,3)10-16)5-8-15-7-4-6-14-15/h4,6-7,11,13,16H,5,8-10H2,1-3H3
InChIKeyZLTWIHILQQTDJA-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.27
Rot. Bonds7

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

2,2-dimethyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol (PubChem CID 115977842) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
PubChem CID115977842
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2,2-dimethyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
SMILESCC(CCn1cccn1)NCC(C)(C)CO
InChIInChI=1S/C12H23N3O/c1-11(13-9-12(2,3)10-16)5-8-15-7-4-6-14-15/h4,6-7,11,13,16H,5,8-10H2,1-3H3
InChIKeyZLTWIHILQQTDJA-UHFFFAOYSA-N
XLogP1.27
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-1-(4-pyrazol-1-ylbutan-2-ylamino)pentan-2-ol
CID 110012210
(2R)-1-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol
CID 103952260
(2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
CID 103952125
N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine
CID 115976552
N-methyl-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide
CID 115977436
N-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine
CID 115977569
N-(cyclobutylmethyl)-4-pyrazol-1-ylbutan-2-amine
CID 115977534
1-phenyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol
CID 110012165
2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol
CID 65337680
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
N-but-3-en-2-yl-4-pyrazol-1-ylbutan-2-amine
CID 115977708

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol (CID 115977842) is 2,2-dimethyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol is CC(CCn1cccn1)NCC(C)(C)CO.
What is the InChIKey of 2,2-dimethyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol?
The InChIKey is ZLTWIHILQQTDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-11(13-9-12(2,3)10-16)5-8-15-7-4-6-14-15/h4,6-7,11,13,16H,5,8-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol?
2,2-dimethyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol is sourced from PubChem (CID 115977842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).