1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine

C14H25N3O2 — CID 105048203

IUPAC1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
SMILESCNC(c1c(OC)cnn1C(C)C)C1OCCC1C
InChIInChI=1S/C14H25N3O2/c1-9(2)17-13(11(18-5)8-16-17)12(15-4)14-10(3)6-7-19-14/h8-10,12,14-15H,6-7H2,1-5H3
InChIKeyDHPBXVIQDVOYOW-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.16
Rot. Bonds5

About 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine (PubChem CID 105048203) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
PubChem CID105048203
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
SMILESCNC(c1c(OC)cnn1C(C)C)C1OCCC1C
InChIInChI=1S/C14H25N3O2/c1-9(2)17-13(11(18-5)8-16-17)12(15-4)14-10(3)6-7-19-14/h8-10,12,14-15H,6-7H2,1-5H3
InChIKeyDHPBXVIQDVOYOW-UHFFFAOYSA-N
XLogP2.16
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 105047047
N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105047110
(1-ethyl-4-methoxypyrazol-5-yl)-(3-methyloxolan-2-yl)methanamine
CID 105048076
2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
CID 114661308
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 105032819
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 114654399
2,2-difluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
CID 103517190
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 102923906
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105048369
[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
CID 105255449
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine
CID 114646684
2-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-ol
CID 115837387

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
The IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine (CID 105048203) is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine.
What is the SMILES notation for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
The canonical SMILES for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine is CNC(c1c(OC)cnn1C(C)C)C1OCCC1C.
What is the InChIKey of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
The InChIKey is DHPBXVIQDVOYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-9(2)17-13(11(18-5)8-16-17)12(15-4)14-10(3)6-7-19-14/h8-10,12,14-15H,6-7H2,1-5H3.
What are the key properties of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine has a molecular weight of 267.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 105048203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).