N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethoxyaniline

C15H21N3O2 — CID 65191841

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethoxyaniline
SMILESCOc1ccc(NC(C)c2cn(C)nc2C)c(OC)c1
InChIInChI=1S/C15H21N3O2/c1-10(13-9-18(3)17-11(13)2)16-14-7-6-12(19-4)8-15(14)20-5/h6-10,16H,1-5H3
InChIKeyNILHQFBODDZFQD-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.92
Rot. Bonds5

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethoxyaniline

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethoxyaniline (PubChem CID 65191841) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethoxyaniline.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethoxyaniline
PubChem CID65191841
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethoxyaniline
SMILESCOc1ccc(NC(C)c2cn(C)nc2C)c(OC)c1
InChIInChI=1S/C15H21N3O2/c1-10(13-9-18(3)17-11(13)2)16-14-7-6-12(19-4)8-15(14)20-5/h6-10,16H,1-5H3
InChIKeyNILHQFBODDZFQD-UHFFFAOYSA-N
XLogP2.92
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]urea
CID 970380
2-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-4-methoxyphenol
CID 104955923
N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6,8-dimethoxyquinazolin-4-amine
CID 100731706
N-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline
CID 43191590
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline
CID 65192411
2-[1-(2,4-dimethoxyanilino)ethyl]-4-methylphenol
CID 43504604
1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine
CID 82706207
6-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpyridin-3-amine
CID 114050711
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 103777717
methyl 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-4-methylbenzoate
CID 65192221
2,4-dimethoxy-N-(1-phenylethyl)aniline
CID 11586940
4-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)aniline
CID 65197070

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethoxyaniline?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethoxyaniline (CID 65191841) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethoxyaniline.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethoxyaniline?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethoxyaniline is COc1ccc(NC(C)c2cn(C)nc2C)c(OC)c1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethoxyaniline?
The InChIKey is NILHQFBODDZFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(13-9-18(3)17-11(13)2)16-14-7-6-12(19-4)8-15(14)20-5/h6-10,16H,1-5H3.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethoxyaniline?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethoxyaniline has a molecular weight of 275.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethoxyaniline is sourced from PubChem (CID 65191841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).