N-[[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine

C17H23N3O — CID 64771424

IUPACN-[[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCC(C)n1ccc(COc2cccc(CNC3CC3)c2)n1
InChIInChI=1S/C17H23N3O/c1-13(2)20-9-8-16(19-20)12-21-17-5-3-4-14(10-17)11-18-15-6-7-15/h3-5,8-10,13,15,18H,6-7,11-12H2,1-2H3
InChIKeyBMTQBYWJGPLZSJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.30
Rot. Bonds7

About N-[[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine

N-[[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 64771424) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine
PubChem CID64771424
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCC(C)n1ccc(COc2cccc(CNC3CC3)c2)n1
InChIInChI=1S/C17H23N3O/c1-13(2)20-9-8-16(19-20)12-21-17-5-3-4-14(10-17)11-18-15-6-7-15/h3-5,8-10,13,15,18H,6-7,11-12H2,1-2H3
InChIKeyBMTQBYWJGPLZSJ-UHFFFAOYSA-N
XLogP3.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclobutanamine
CID 64771100
N-methyl-1-[3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64801948
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine
CID 64687559
1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64772319
trifluoro-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]boranuide
CID 64773108
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 6471253
N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine
CID 62388606
4-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 64771439
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 17055072
3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide
CID 43311904
1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 114491649
N-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 61484058

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine (CID 64771424) is N-[[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine is CC(C)n1ccc(COc2cccc(CNC3CC3)c2)n1.
What is the InChIKey of N-[[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is BMTQBYWJGPLZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(2)20-9-8-16(19-20)12-21-17-5-3-4-14(10-17)11-18-15-6-7-15/h3-5,8-10,13,15,18H,6-7,11-12H2,1-2H3.
What are the key properties of N-[[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine?
N-[[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 285.39 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 64771424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).