N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine

C16H23N3O2 — CID 62902826

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
SMILESCCOc1cc(CNc2cnn(C(C)C)c2)ccc1OC
InChIInChI=1S/C16H23N3O2/c1-5-21-16-8-13(6-7-15(16)20-4)9-17-14-10-18-19(11-14)12(2)3/h6-8,10-12,17H,5,9H2,1-4H3
InChIKeyZZSJFOFZZMZHDC-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.48
Rot. Bonds7

About N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine

N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine (PubChem CID 62902826) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
PubChem CID62902826
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
SMILESCCOc1cc(CNc2cnn(C(C)C)c2)ccc1OC
InChIInChI=1S/C16H23N3O2/c1-5-21-16-8-13(6-7-15(16)20-4)9-17-14-10-18-19(11-14)12(2)3/h6-8,10-12,17H,5,9H2,1-4H3
InChIKeyZZSJFOFZZMZHDC-UHFFFAOYSA-N
XLogP3.48
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62904039
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 19625859
1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine
CID 113224396
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62902650
N-[(3,4-dibromophenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 115881219
4-[(3-ethoxy-4-methoxyanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202930
2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110928951
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 115607997
N-[(3-chloro-4-fluorophenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 81145371
1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine
CID 62904044
1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine
CID 19625865
N-[(3-ethoxy-4-methoxyphenyl)methyl]thiophen-3-amine
CID 66352513

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine (CID 62902826) is N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine is CCOc1cc(CNc2cnn(C(C)C)c2)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine?
The InChIKey is ZZSJFOFZZMZHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-21-16-8-13(6-7-15(16)20-4)9-17-14-10-18-19(11-14)12(2)3/h6-8,10-12,17H,5,9H2,1-4H3.
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine?
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine has a molecular weight of 289.38 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 62902826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).