2-(3-methylpentan-2-ylamino)-1-(1-methylpyrazol-4-yl)ethanol

C12H23N3O — CID 115723874

IUPAC2-(3-methylpentan-2-ylamino)-1-(1-methylpyrazol-4-yl)ethanol
SMILESCCC(C)C(C)NCC(O)c1cnn(C)c1
InChIInChI=1S/C12H23N3O/c1-5-9(2)10(3)13-7-12(16)11-6-14-15(4)8-11/h6,8-10,12-13,16H,5,7H2,1-4H3
InChIKeyCNIZDUQYLAVZCZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.48
Rot. Bonds6

About 2-(3-methylpentan-2-ylamino)-1-(1-methylpyrazol-4-yl)ethanol

2-(3-methylpentan-2-ylamino)-1-(1-methylpyrazol-4-yl)ethanol (PubChem CID 115723874) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(3-methylpentan-2-ylamino)-1-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-methylpentan-2-ylamino)-1-(1-methylpyrazol-4-yl)ethanol
PubChem CID115723874
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-(3-methylpentan-2-ylamino)-1-(1-methylpyrazol-4-yl)ethanol
SMILESCCC(C)C(C)NCC(O)c1cnn(C)c1
InChIInChI=1S/C12H23N3O/c1-5-9(2)10(3)13-7-12(16)11-6-14-15(4)8-11/h6,8-10,12-13,16H,5,7H2,1-4H3
InChIKeyCNIZDUQYLAVZCZ-UHFFFAOYSA-N
XLogP1.48
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hexan-3-ylamino)-1-(1-methylpyrazol-4-yl)ethanol
CID 115905958
2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 61088216
2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 115888089
2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 62693064
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
3,4,4-trimethyl-1-(1-methylpyrazol-4-yl)pentan-1-ol
CID 114981879
1-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 133323484
1-(cyclopropylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-methylguanidine
CID 119141995
1-amino-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 82412738
methyl 2-(1-methylpyrazol-4-yl)butanoate
CID 62395222
2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 75434721
1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
CID 163865872

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-2-ylamino)-1-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(3-methylpentan-2-ylamino)-1-(1-methylpyrazol-4-yl)ethanol (CID 115723874) is 2-(3-methylpentan-2-ylamino)-1-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(3-methylpentan-2-ylamino)-1-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(3-methylpentan-2-ylamino)-1-(1-methylpyrazol-4-yl)ethanol is CCC(C)C(C)NCC(O)c1cnn(C)c1.
What is the InChIKey of 2-(3-methylpentan-2-ylamino)-1-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is CNIZDUQYLAVZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-9(2)10(3)13-7-12(16)11-6-14-15(4)8-11/h6,8-10,12-13,16H,5,7H2,1-4H3.
What are the key properties of 2-(3-methylpentan-2-ylamino)-1-(1-methylpyrazol-4-yl)ethanol?
2-(3-methylpentan-2-ylamino)-1-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 225.34 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-2-ylamino)-1-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 115723874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).