[2-methyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-yl]methanamine

C13H19N3O2 — CID 116803596

IUPAC[2-methyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-yl]methanamine
SMILESCc1oc(COc2cnn(C(C)C)c2)cc1CN
InChIInChI=1S/C13H19N3O2/c1-9(2)16-7-13(6-15-16)17-8-12-4-11(5-14)10(3)18-12/h4,6-7,9H,5,8,14H2,1-3H3
InChIKeyTZLRFWKISBOYJS-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.40
Rot. Bonds5

About [2-methyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-yl]methanamine

[2-methyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-yl]methanamine (PubChem CID 116803596) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is [2-methyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-yl]methanamine
PubChem CID116803596
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name[2-methyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-yl]methanamine
SMILESCc1oc(COc2cnn(C(C)C)c2)cc1CN
InChIInChI=1S/C13H19N3O2/c1-9(2)16-7-13(6-15-16)17-8-12-4-11(5-14)10(3)18-12/h4,6-7,9H,5,8,14H2,1-3H3
InChIKeyTZLRFWKISBOYJS-UHFFFAOYSA-N
XLogP2.40
TPSA66.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-methyl-5-(pyridin-3-yloxymethyl)furan-3-yl]methanamine
CID 62449563
[5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine
CID 116803528
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carboxylic acid
CID 116799953
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carbohydrazide
CID 116804129
3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine
CID 116800727
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide
CID 116804127
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-carbohydrazide
CID 116804146
2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine
CID 116805488
[2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine
CID 62441296
[5-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine
CID 114929125
4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
N-[2-[[4-(aminomethyl)-5-methylfuran-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505825

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-yl]methanamine?
The IUPAC name of [2-methyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-yl]methanamine (CID 116803596) is [2-methyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-yl]methanamine.
What is the SMILES notation for [2-methyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-yl]methanamine?
The canonical SMILES for [2-methyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-yl]methanamine is Cc1oc(COc2cnn(C(C)C)c2)cc1CN.
What is the InChIKey of [2-methyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-yl]methanamine?
The InChIKey is TZLRFWKISBOYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(2)16-7-13(6-15-16)17-8-12-4-11(5-14)10(3)18-12/h4,6-7,9H,5,8,14H2,1-3H3.
What are the key properties of [2-methyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-yl]methanamine?
[2-methyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-yl]methanamine has a molecular weight of 249.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-yl]methanamine is sourced from PubChem (CID 116803596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).