N-[[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine

C17H25N3O — CID 63063064

IUPACN-[[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
SMILESCCn1cc(COc2ccc(CNCC(C)C)cc2)cn1
InChIInChI=1S/C17H25N3O/c1-4-20-12-16(11-19-20)13-21-17-7-5-15(6-8-17)10-18-9-14(2)3/h5-8,11-12,14,18H,4,9-10,13H2,1-3H3
InChIKeyBGBPKBKBQMXYEP-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.23
Rot. Bonds8

About N-[[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine

N-[[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63063064) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63063064
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
SMILESCCn1cc(COc2ccc(CNCC(C)C)cc2)cn1
InChIInChI=1S/C17H25N3O/c1-4-20-12-16(11-19-20)13-21-17-7-5-15(6-8-17)10-18-9-14(2)3/h5-8,11-12,14,18H,4,9-10,13H2,1-3H3
InChIKeyBGBPKBKBQMXYEP-UHFFFAOYSA-N
XLogP3.23
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole
CID 64764542
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627439
2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 62448294
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115655686
3-(1-ethylpyrazol-4-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62528296
N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 104796281
N-[[3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 65171777
N-[(1-ethylpyrazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966858

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine (CID 63063064) is N-[[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine is CCn1cc(COc2ccc(CNCC(C)C)cc2)cn1.
What is the InChIKey of N-[[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is BGBPKBKBQMXYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-20-12-16(11-19-20)13-21-17-7-5-15(6-8-17)10-18-9-14(2)3/h5-8,11-12,14,18H,4,9-10,13H2,1-3H3.
What are the key properties of N-[[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
N-[[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63063064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).