3,5-dimethoxy-N-(1H-pyrazol-5-ylmethyl)aniline

C12H15N3O2 — CID 19626230

IUPAC3,5-dimethoxy-N-(1H-pyrazol-5-ylmethyl)aniline
SMILESCOc1cc(NCc2ccn[nH]2)cc(OC)c1
InChIInChI=1S/C12H15N3O2/c1-16-11-5-10(6-12(7-11)17-2)13-8-9-3-4-14-15-9/h3-7,13H,8H2,1-2H3,(H,14,15)
InChIKeyBFOIWARYZDBQKR-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.04
Rot. Bonds5

About 3,5-dimethoxy-N-(1H-pyrazol-5-ylmethyl)aniline

3,5-dimethoxy-N-(1H-pyrazol-5-ylmethyl)aniline (PubChem CID 19626230) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(1H-pyrazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name3,5-dimethoxy-N-(1H-pyrazol-5-ylmethyl)aniline
PubChem CID19626230
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3,5-dimethoxy-N-(1H-pyrazol-5-ylmethyl)aniline
SMILESCOc1cc(NCc2ccn[nH]2)cc(OC)c1
InChIInChI=1S/C12H15N3O2/c1-16-11-5-10(6-12(7-11)17-2)13-8-9-3-4-14-15-9/h3-7,13H,8H2,1-2H3,(H,14,15)
InChIKeyBFOIWARYZDBQKR-UHFFFAOYSA-N
XLogP2.04
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine
CID 71863975
N-(4-bromo-3,5-dimethoxyphenyl)-2-(1H-pyrazol-5-yl)acetamide
CID 75444703
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethoxy)aniline
CID 68721540
3,5-dimethoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline
CID 68722941
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-(difluoromethoxy)aniline
CID 68723799
3,5-dimethoxy-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]aniline
CID 90691367
N'-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-N'-[(2E,4E)-7-methyl-5-(methylideneamino)-6-[1-(1-methylpyrazol-4-yl)ethylideneamino]octa-2,4,6-trien-2-yl]ethane-1,2-diamine
CID 135160959
N-(3,5-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9096694
3,5-dimethoxy-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]aniline
CID 19626070
N-{[1-Ethyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]methyl}-3,5-dimethoxyaniline
CID 19626094
3,5-dimethoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]aniline
CID 19626182
N-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3,5-dimethoxyaniline
CID 19626206

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(1H-pyrazol-5-ylmethyl)aniline?
The IUPAC name of 3,5-dimethoxy-N-(1H-pyrazol-5-ylmethyl)aniline (CID 19626230) is 3,5-dimethoxy-N-(1H-pyrazol-5-ylmethyl)aniline.
What is the SMILES notation for 3,5-dimethoxy-N-(1H-pyrazol-5-ylmethyl)aniline?
The canonical SMILES for 3,5-dimethoxy-N-(1H-pyrazol-5-ylmethyl)aniline is COc1cc(NCc2ccn[nH]2)cc(OC)c1.
What is the InChIKey of 3,5-dimethoxy-N-(1H-pyrazol-5-ylmethyl)aniline?
The InChIKey is BFOIWARYZDBQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-16-11-5-10(6-12(7-11)17-2)13-8-9-3-4-14-15-9/h3-7,13H,8H2,1-2H3,(H,14,15).
What are the key properties of 3,5-dimethoxy-N-(1H-pyrazol-5-ylmethyl)aniline?
3,5-dimethoxy-N-(1H-pyrazol-5-ylmethyl)aniline has a molecular weight of 233.27 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(1H-pyrazol-5-ylmethyl)aniline is sourced from PubChem (CID 19626230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).