1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol

Name: 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₂₃N₃O — CID 115971884

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol

SMILESCCC(C)(O)CNC(C)c1cnn(C)c1C

InChIInChI=1S/C12H23N3O/c1-6-12(4,16)8-13-9(2)11-7-14-15(5)10(11)3/h7,9,13,16H,6,8H2,1-5H3

InChIKeyKEGMBIQLLDEPCM-UHFFFAOYSA-N

MW225.34 g/mol

LogP1.54

Rot. Bonds5

About 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol

1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol (PubChem CID 115971884) has the molecular formula C₁₂H₂₃N₃O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name	1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol
PubChem CID	115971884
Molecular Formula	C₁₂H₂₃N₃O
Molecular Weight	225.34 g/mol
Exact Mass	225.18
IUPAC Name	1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol
SMILES	CCC(C)(O)CNC(C)c1cnn(C)c1C
InChI	InChI=1S/C12H23N3O/c1-6-12(4,16)8-13-9(2)11-7-14-15(5)10(11)3/h7,9,13,16H,6,8H2,1-5H3
InChIKey	KEGMBIQLLDEPCM-UHFFFAOYSA-N
XLogP	1.54
TPSA	50.08 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	225.34
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol?

The IUPAC name of 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol (CID 115971884) is 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol.

What is the SMILES notation for 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol?

The canonical SMILES for 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol is CCC(C)(O)CNC(C)c1cnn(C)c1C.

What is the InChIKey of 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol?

The InChIKey is KEGMBIQLLDEPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-6-12(4,16)8-13-9(2)11-7-14-15(5)10(11)3/h7,9,13,16H,6,8H2,1-5H3.

What are the key properties of 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol?

1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol has a molecular weight of 225.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 115971884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 115971884 — identifiers, structure, computed properties (public domain)

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