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

C18H19N3O — CID 163384213

IUPAC4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine
SMILESCOc1ccc(Cn2cc(Cc3ccccc3)c(N)n2)cc1
InChIInChI=1S/C18H19N3O/c1-22-17-9-7-15(8-10-17)12-21-13-16(18(19)20-21)11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H2,19,20)
InChIKeyXEFREZZISMVVQQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.11
Rot. Bonds5

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

4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine (PubChem CID 163384213) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine
PubChem CID163384213
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine
SMILESCOc1ccc(Cn2cc(Cc3ccccc3)c(N)n2)cc1
InChIInChI=1S/C18H19N3O/c1-22-17-9-7-15(8-10-17)12-21-13-16(18(19)20-21)11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H2,19,20)
InChIKeyXEFREZZISMVVQQ-UHFFFAOYSA-N
XLogP3.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol
CID 174330913
1-benzyl-4-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole
CID 68654467
3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde
CID 138111408
4-[(2-bromophenyl)methyl]-3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazole
CID 175634319
N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-fluoropyridine-4-carboxamide
CID 164783047
N-[4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-ethyl-5-fluoropyridine-4-carboxamide
CID 164782983
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
3-benzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazole
CID 141167246
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
2-benzyl-5-methoxyaniline;ethane
CID 142463807
3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole
CID 118618664
1-[3-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 66668959

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine?
The IUPAC name of 4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine (CID 163384213) is 4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine is COc1ccc(Cn2cc(Cc3ccccc3)c(N)n2)cc1.
What is the InChIKey of 4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine?
The InChIKey is XEFREZZISMVVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-22-17-9-7-15(8-10-17)12-21-13-16(18(19)20-21)11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H2,19,20).
What are the key properties of 4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine?
4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine has a molecular weight of 293.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 163384213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).