N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine

C13H16ClN3O — CID 104954500

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
SMILESCOc1cccc(Cl)c1CNc1cn(C)nc1C
InChIInChI=1S/C13H16ClN3O/c1-9-12(8-17(2)16-9)15-7-10-11(14)5-4-6-13(10)18-3/h4-6,8,15H,7H2,1-3H3
InChIKeySCQIKXZDUILCCN-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.00
Rot. Bonds4

About N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine

N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine (PubChem CID 104954500) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
PubChem CID104954500
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
SMILESCOc1cccc(Cl)c1CNc1cn(C)nc1C
InChIInChI=1S/C13H16ClN3O/c1-9-12(8-17(2)16-9)15-7-10-11(14)5-4-6-13(10)18-3/h4-6,8,15H,7H2,1-3H3
InChIKeySCQIKXZDUILCCN-UHFFFAOYSA-N
XLogP3.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine
CID 103291777
N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 113434216
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
CID 103478606
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
CID 103292832
3-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylaniline
CID 107630358
6-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-benzodioxol-5-amine
CID 104815788
N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 104815682
3-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine
CID 103291779
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-3-nitroaniline
CID 104815836
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline
CID 104815678
1-N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 103291747
5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpyridin-2-one
CID 104815922

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine (CID 104954500) is N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine is COc1cccc(Cl)c1CNc1cn(C)nc1C.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine?
The InChIKey is SCQIKXZDUILCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-9-12(8-17(2)16-9)15-7-10-11(14)5-4-6-13(10)18-3/h4-6,8,15H,7H2,1-3H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine has a molecular weight of 265.74 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 104954500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).