4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentan-1-ol

C14H27N3O — CID 83094621

IUPAC4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentan-1-ol
SMILESCn1cc(C(CCO)C(C)(C)N)c(C(C)(C)C)n1
InChIInChI=1S/C14H27N3O/c1-13(2,3)12-10(9-17(6)16-12)11(7-8-18)14(4,5)15/h9,11,18H,7-8,15H2,1-6H3
InChIKeyNOCCONIULBVHDU-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.92
Rot. Bonds4

About 4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentan-1-ol

4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentan-1-ol (PubChem CID 83094621) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentan-1-ol
PubChem CID83094621
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentan-1-ol
SMILESCn1cc(C(CCO)C(C)(C)N)c(C(C)(C)C)n1
InChIInChI=1S/C14H27N3O/c1-13(2,3)12-10(9-17(6)16-12)11(7-8-18)14(4,5)15/h9,11,18H,7-8,15H2,1-6H3
InChIKeyNOCCONIULBVHDU-UHFFFAOYSA-N
XLogP1.92
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentanoic acid
CID 83094443
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-hydroxyethoxy)acetonitrile
CID 103375950
1-(3-tert-butyl-1-methylpyrazol-4-yl)-3,3,3-trifluoropropan-1-amine
CID 113404126
methyl 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-hydroxyacetate
CID 83090437
2-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-hydroxypropanoic acid
CID 83088962
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-morpholin-4-ylethanamine
CID 83089493
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 83091460
(3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol
CID 83090018
ethyl 2-[(3-tert-butyl-1-methylpyrazol-4-yl)-hydroxymethyl]butanoate
CID 83093839
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
CID 83090809
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-cyclopentylethanol
CID 83090014
3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoic acid
CID 83095088

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentan-1-ol?
The IUPAC name of 4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentan-1-ol (CID 83094621) is 4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentan-1-ol.
What is the SMILES notation for 4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentan-1-ol?
The canonical SMILES for 4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentan-1-ol is Cn1cc(C(CCO)C(C)(C)N)c(C(C)(C)C)n1.
What is the InChIKey of 4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentan-1-ol?
The InChIKey is NOCCONIULBVHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-13(2,3)12-10(9-17(6)16-12)11(7-8-18)14(4,5)15/h9,11,18H,7-8,15H2,1-6H3.
What are the key properties of 4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentan-1-ol?
4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentan-1-ol has a molecular weight of 253.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentan-1-ol is sourced from PubChem (CID 83094621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).