2-methyl-N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine

C12H21N3O — CID 63564017

IUPAC2-methyl-N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cnn(C2CCOC2)c1
InChIInChI=1S/C12H21N3O/c1-12(2,3)13-6-10-7-14-15(8-10)11-4-5-16-9-11/h7-8,11,13H,4-6,9H2,1-3H3
InChIKeyWXFFZVLZHVNTRM-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.73
Rot. Bonds3

About 2-methyl-N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 63564017) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine
PubChem CID63564017
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-methyl-N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cnn(C2CCOC2)c1
InChIInChI=1S/C12H21N3O/c1-12(2,3)13-6-10-7-14-15(8-10)11-4-5-16-9-11/h7-8,11,13H,4-6,9H2,1-3H3
InChIKeyWXFFZVLZHVNTRM-UHFFFAOYSA-N
XLogP1.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 63564015
N-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 82930487
4-ethyl-1-(oxolan-3-yl)pyrazole
CID 84731626
ethane;4-ethyl-1-(oxolan-3-yl)pyrazole
CID 164911737
ethane;4-methyl-1-(oxolan-3-yl)pyrazole
CID 143510060
3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanoic acid
CID 129462871
1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
CID 72719638
2-methyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]propanoic acid
CID 105481832
N-[(1-methylpyrazol-4-yl)methyl]oxolan-3-amine
CID 63335876
5-[1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 67224091
N-methyl-3-[1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine
CID 105481100
2-[1-(oxolan-3-yl)pyrazol-4-yl]propan-1-amine
CID 105449225

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine (CID 63564017) is 2-methyl-N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine is CC(C)(C)NCc1cnn(C2CCOC2)c1.
What is the InChIKey of 2-methyl-N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is WXFFZVLZHVNTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,3)13-6-10-7-14-15(8-10)11-4-5-16-9-11/h7-8,11,13H,4-6,9H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 63564017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).