4-[(3,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine

C14H19N3O — CID 62194237

IUPAC4-[(3,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine
SMILESCc1ccc(OCc2c(C)nn(C)c2N)cc1C
InChIInChI=1S/C14H19N3O/c1-9-5-6-12(7-10(9)2)18-8-13-11(3)16-17(4)14(13)15/h5-7H,8,15H2,1-4H3
InChIKeyRCJHIYCYWPSFKF-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.51
Rot. Bonds3

About 4-[(3,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine

4-[(3,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine (PubChem CID 62194237) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(3,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine
PubChem CID62194237
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[(3,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine
SMILESCc1ccc(OCc2c(C)nn(C)c2N)cc1C
InChIInChI=1S/C14H19N3O/c1-9-5-6-12(7-10(9)2)18-8-13-11(3)16-17(4)14(13)15/h5-7H,8,15H2,1-4H3
InChIKeyRCJHIYCYWPSFKF-UHFFFAOYSA-N
XLogP2.51
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-amine
CID 970025
3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-5-amine
CID 33783221
N,N,1,3-tetramethyl-4-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyrazol-5-amine
CID 51105094
4-[[2-(3-methoxyphenyl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51105103
4-[[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51105132
4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51105135
4-[[1-(3-ethoxyphenyl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51105402
4-[[[3-[2-(dimethylamino)ethoxy]phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 53539586
1-[[5-(Dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 53541795
4-[[(3-methoxyphenyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 53547190
4-[[(3-methoxyphenyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine
CID 53618025
N-(4-diazonio-1,3-dimethylpyrazol-5-yl)-2-(4-methoxyphenyl)ethanimidate
CID 78075613

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine (CID 62194237) is 4-[(3,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-[(3,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-[(3,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine is Cc1ccc(OCc2c(C)nn(C)c2N)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine?
The InChIKey is RCJHIYCYWPSFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-5-6-12(7-10(9)2)18-8-13-11(3)16-17(4)14(13)15/h5-7H,8,15H2,1-4H3.
What are the key properties of 4-[(3,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine?
4-[(3,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine has a molecular weight of 245.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 62194237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).