1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-yloxypropan-2-amine

C11H21N3O — CID 105158554

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-yloxypropan-2-amine
SMILESCc1cc(CC(N)COC(C)C)n(C)n1
InChIInChI=1S/C11H21N3O/c1-8(2)15-7-10(12)6-11-5-9(3)13-14(11)4/h5,8,10H,6-7,12H2,1-4H3
InChIKeyBJJZOVPVDWLONR-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.02
Rot. Bonds5

About 1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-yloxypropan-2-amine

1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-yloxypropan-2-amine (PubChem CID 105158554) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-yloxypropan-2-amine
PubChem CID105158554
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-yloxypropan-2-amine
SMILESCc1cc(CC(N)COC(C)C)n(C)n1
InChIInChI=1S/C11H21N3O/c1-8(2)15-7-10(12)6-11-5-9(3)13-14(11)4/h5,8,10H,6-7,12H2,1-4H3
InChIKeyBJJZOVPVDWLONR-UHFFFAOYSA-N
XLogP1.02
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-yloxypropan-2-yl]hydrazine
CID 105315707
1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79617156
(2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide
CID 141403090
[1-(2,5-dimethylpyrazol-3-yl)-3-ethoxybutan-2-yl]hydrazine
CID 105222898
1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 104996048
4-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-amine
CID 104996040
1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115811450
[1-(2,5-dimethylpyrazol-3-yl)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 105315889
[1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
CID 105272137
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105158663
[1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
CID 105226150
3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol
CID 115811630

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-yloxypropan-2-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-yloxypropan-2-amine (CID 105158554) is 1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-yloxypropan-2-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-yloxypropan-2-amine is Cc1cc(CC(N)COC(C)C)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-yloxypropan-2-amine?
The InChIKey is BJJZOVPVDWLONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(2)15-7-10(12)6-11-5-9(3)13-14(11)4/h5,8,10H,6-7,12H2,1-4H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-yloxypropan-2-amine?
1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-yloxypropan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 105158554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).