N-(4-methoxyphenyl)-N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine

C17H19N3O — CID 21272285

IUPACN-(4-methoxyphenyl)-N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine
SMILESCOc1ccc(N(C)C2=NN(c3ccccc3)CC2)cc1
InChIInChI=1S/C17H19N3O/c1-19(14-8-10-16(21-2)11-9-14)17-12-13-20(18-17)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeyIYHNJHDFYQOMLY-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.36
Rot. Bonds3

About N-(4-methoxyphenyl)-N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine

N-(4-methoxyphenyl)-N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine (PubChem CID 21272285) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine
PubChem CID21272285
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-(4-methoxyphenyl)-N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine
SMILESCOc1ccc(N(C)C2=NN(c3ccccc3)CC2)cc1
InChIInChI=1S/C17H19N3O/c1-19(14-8-10-16(21-2)11-9-14)17-12-13-20(18-17)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeyIYHNJHDFYQOMLY-UHFFFAOYSA-N
XLogP3.36
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine (CID 21272285) is N-(4-methoxyphenyl)-N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine is COc1ccc(N(C)C2=NN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine?
The InChIKey is IYHNJHDFYQOMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-19(14-8-10-16(21-2)11-9-14)17-12-13-20(18-17)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine?
N-(4-methoxyphenyl)-N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine has a molecular weight of 281.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methyl-2-phenyl-3,4-dihydropyrazol-5-amine is sourced from PubChem (CID 21272285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).