1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine

C20H23N3O2 — CID 113224396

IUPAC1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine
SMILESCCOc1ccc(CNc2cnn(Cc3ccccc3)c2)cc1OC
InChIInChI=1S/C20H23N3O2/c1-3-25-19-10-9-17(11-20(19)24-2)12-21-18-13-22-23(15-18)14-16-7-5-4-6-8-16/h4-11,13,15,21H,3,12,14H2,1-2H3
InChIKeyBBHJRLQBESFMNX-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.95
Rot. Bonds8

About 1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine

1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine (PubChem CID 113224396) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine
PubChem CID113224396
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine
SMILESCCOc1ccc(CNc2cnn(Cc3ccccc3)c2)cc1OC
InChIInChI=1S/C20H23N3O2/c1-3-25-19-10-9-17(11-20(19)24-2)12-21-18-13-22-23(15-18)14-16-7-5-4-6-8-16/h4-11,13,15,21H,3,12,14H2,1-2H3
InChIKeyBBHJRLQBESFMNX-UHFFFAOYSA-N
XLogP3.95
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 19625859
1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine
CID 19625865
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62902826
1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 60930766
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine
CID 54939751
2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110928951
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
CID 28612218
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline
CID 28609770
N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(2-methylphenoxy)acetamide
CID 19338560
N-[(1-benzylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 78879011
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 65021511
N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62904039

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine (CID 113224396) is 1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine is CCOc1ccc(CNc2cnn(Cc3ccccc3)c2)cc1OC.
What is the InChIKey of 1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine?
The InChIKey is BBHJRLQBESFMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-25-19-10-9-17(11-20(19)24-2)12-21-18-13-22-23(15-18)14-16-7-5-4-6-8-16/h4-11,13,15,21H,3,12,14H2,1-2H3.
What are the key properties of 1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine?
1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine has a molecular weight of 337.42 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 113224396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).