1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol

C12H23N3O — CID 103017776

IUPAC1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol
SMILESCn1nccc1CCC(O)CNC(C)(C)C
InChIInChI=1S/C12H23N3O/c1-12(2,3)13-9-11(16)6-5-10-7-8-14-15(10)4/h7-8,11,13,16H,5-6,9H2,1-4H3
InChIKeyLQFPBMUJVGKGSP-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.10
Rot. Bonds5

About 1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol

1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol (PubChem CID 103017776) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol
PubChem CID103017776
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol
SMILESCn1nccc1CCC(O)CNC(C)(C)C
InChIInChI=1S/C12H23N3O/c1-12(2,3)13-9-11(16)6-5-10-7-8-14-15(10)4/h7-8,11,13,16H,5-6,9H2,1-4H3
InChIKeyLQFPBMUJVGKGSP-UHFFFAOYSA-N
XLogP1.10
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
6-(2-methylpyrazol-3-yl)hexane-1,4-diol
CID 106677975
N,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 103014774
N-tert-butyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014276
(2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008517
5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol
CID 103028111
2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013811
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 103008347
4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol
CID 103016020
4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol
CID 103027950
6-ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103028081

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol?
The IUPAC name of 1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol (CID 103017776) is 1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol is Cn1nccc1CCC(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol?
The InChIKey is LQFPBMUJVGKGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(2,3)13-9-11(16)6-5-10-7-8-14-15(10)4/h7-8,11,13,16H,5-6,9H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol?
1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol has a molecular weight of 225.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol is sourced from PubChem (CID 103017776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).