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

C13H17N3O — CID 122168805

IUPACN-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine
SMILESCOc1ccccc1CNc1nn(C)cc1C
InChIInChI=1S/C13H17N3O/c1-10-9-16(2)15-13(10)14-8-11-6-4-5-7-12(11)17-3/h4-7,9H,8H2,1-3H3,(H,14,15)
InChIKeyNATNSLXUYOPXCG-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.35
Rot. Bonds4

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

N-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine (PubChem CID 122168805) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine
PubChem CID122168805
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine
SMILESCOc1ccccc1CNc1nn(C)cc1C
InChIInChI=1S/C13H17N3O/c1-10-9-16(2)15-13(10)14-8-11-6-4-5-7-12(11)17-3/h4-7,9H,8H2,1-3H3,(H,14,15)
InChIKeyNATNSLXUYOPXCG-UHFFFAOYSA-N
XLogP2.35
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazol-3-amine;hydrochloride
CID 126966436
N-[(2-methoxyphenyl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431901
4-N-[(2-methoxyphenyl)methyl]-2-methyl-1H-imidazole-4,5-diamine
CID 55012041
2-methoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 43757861
N-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 8850825
1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride
CID 126967481
N-[(2-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
CID 122168202
N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727584
1,4-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride
CID 126965310
N-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-amine
CID 975932
3-[(2-methoxyphenyl)methylamino]pyridazine-4-carbothioamide
CID 80510898
1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine
CID 62757557

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine (CID 122168805) is N-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine is COc1ccccc1CNc1nn(C)cc1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine?
The InChIKey is NATNSLXUYOPXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-9-16(2)15-13(10)14-8-11-6-4-5-7-12(11)17-3/h4-7,9H,8H2,1-3H3,(H,14,15).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine?
N-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine is sourced from PubChem (CID 122168805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).