2,3-dimethyl-1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]butan-2-ol

C12H23N3O — CID 110010541

IUPAC2,3-dimethyl-1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]butan-2-ol
SMILESCc1[nH]ncc1C(C)NCC(C)(O)C(C)C
InChIInChI=1S/C12H23N3O/c1-8(2)12(5,16)7-13-9(3)11-6-14-15-10(11)4/h6,8-9,13,16H,7H2,1-5H3,(H,14,15)
InChIKeyXGRCUZFJLUROKV-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.78
Rot. Bonds5

About 2,3-dimethyl-1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]butan-2-ol

2,3-dimethyl-1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]butan-2-ol (PubChem CID 110010541) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2,3-dimethyl-1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]butan-2-ol
PubChem CID110010541
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2,3-dimethyl-1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]butan-2-ol
SMILESCc1[nH]ncc1C(C)NCC(C)(O)C(C)C
InChIInChI=1S/C12H23N3O/c1-8(2)12(5,16)7-13-9(3)11-6-14-15-10(11)4/h6,8-9,13,16H,7H2,1-5H3,(H,14,15)
InChIKeyXGRCUZFJLUROKV-UHFFFAOYSA-N
XLogP1.78
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-5-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]pentan-2-ol
CID 110011191
3,3-dimethyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 115970785
2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide
CID 115735326
2,3-dimethyl-1-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-2-ol
CID 104930531
N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 115972031
N'-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115971793
N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfinylpropan-1-amine
CID 115972018
2-N,2-N-dimethyl-1-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butane-1,2-diamine
CID 115971740
3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine
CID 115970374
4-[[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]methyl]thian-4-ol
CID 110010696
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethylbutan-2-ol
CID 104930543
1-(5-methyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)ethanamine
CID 115970342

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]butan-2-ol (CID 110010541) is 2,3-dimethyl-1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]butan-2-ol is Cc1[nH]ncc1C(C)NCC(C)(O)C(C)C.
What is the InChIKey of 2,3-dimethyl-1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]butan-2-ol?
The InChIKey is XGRCUZFJLUROKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-8(2)12(5,16)7-13-9(3)11-6-14-15-10(11)4/h6,8-9,13,16H,7H2,1-5H3,(H,14,15).
What are the key properties of 2,3-dimethyl-1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]butan-2-ol?
2,3-dimethyl-1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]butan-2-ol has a molecular weight of 225.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 110010541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).