2-[(3-methoxy-4-phenoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine

C17H19N3O2 — CID 20511328

IUPAC2-[(3-methoxy-4-phenoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine
SMILESCOc1cc(CN2CCC(N)=N2)ccc1Oc1ccccc1
InChIInChI=1S/C17H19N3O2/c1-21-16-11-13(12-20-10-9-17(18)19-20)7-8-15(16)22-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H2,18,19)
InChIKeyBVJZFBILDAHCCC-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.97
Rot. Bonds5

About 2-[(3-methoxy-4-phenoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine

2-[(3-methoxy-4-phenoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine (PubChem CID 20511328) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[(3-methoxy-4-phenoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine.

Molecular Properties

Compound Name2-[(3-methoxy-4-phenoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine
PubChem CID20511328
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-[(3-methoxy-4-phenoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine
SMILESCOc1cc(CN2CCC(N)=N2)ccc1Oc1ccccc1
InChIInChI=1S/C17H19N3O2/c1-21-16-11-13(12-20-10-9-17(18)19-20)7-8-15(16)22-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H2,18,19)
InChIKeyBVJZFBILDAHCCC-UHFFFAOYSA-N
XLogP2.97
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine
CID 20511335
N-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine
CID 57119398
4-[4-[[4-(4-aminophenoxy)-3-methoxyphenyl]methyl]-2-methoxyphenoxy]aniline
CID 18926100
4,5-dimethoxy-2-phenoxyaniline
CID 83008509
3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine
CID 56722412
6,7-dimethoxy-2-[[3-(4-phenoxyphenoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 11213509
1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene
CID 11419749
2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1377255
2-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]-3-methylquinoline
CID 56722322
1-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 43563822
4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092
1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-amine
CID 79506309

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-4-phenoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine?
The IUPAC name of 2-[(3-methoxy-4-phenoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine (CID 20511328) is 2-[(3-methoxy-4-phenoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine.
What is the SMILES notation for 2-[(3-methoxy-4-phenoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine?
The canonical SMILES for 2-[(3-methoxy-4-phenoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine is COc1cc(CN2CCC(N)=N2)ccc1Oc1ccccc1.
What is the InChIKey of 2-[(3-methoxy-4-phenoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine?
The InChIKey is BVJZFBILDAHCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-21-16-11-13(12-20-10-9-17(18)19-20)7-8-15(16)22-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H2,18,19).
What are the key properties of 2-[(3-methoxy-4-phenoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine?
2-[(3-methoxy-4-phenoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine has a molecular weight of 297.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-4-phenoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine is sourced from PubChem (CID 20511328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).