1-[(2-methoxy-5-methylphenyl)methyl]pyrazol-3-amine

C12H15N3O — CID 62159764

IUPAC1-[(2-methoxy-5-methylphenyl)methyl]pyrazol-3-amine
SMILESCOc1ccc(C)cc1Cn1ccc(N)n1
InChIInChI=1S/C12H15N3O/c1-9-3-4-11(16-2)10(7-9)8-15-6-5-12(13)14-15/h3-7H,8H2,1-2H3,(H2,13,14)
InChIKeyVMXHCPQZEURYAZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.83
Rot. Bonds3

About 1-[(2-methoxy-5-methylphenyl)methyl]pyrazol-3-amine

1-[(2-methoxy-5-methylphenyl)methyl]pyrazol-3-amine (PubChem CID 62159764) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[(2-methoxy-5-methylphenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(2-methoxy-5-methylphenyl)methyl]pyrazol-3-amine
PubChem CID62159764
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[(2-methoxy-5-methylphenyl)methyl]pyrazol-3-amine
SMILESCOc1ccc(C)cc1Cn1ccc(N)n1
InChIInChI=1S/C12H15N3O/c1-9-3-4-11(16-2)10(7-9)8-15-6-5-12(13)14-15/h3-7H,8H2,1-2H3,(H2,13,14)
InChIKeyVMXHCPQZEURYAZ-UHFFFAOYSA-N
XLogP1.83
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dimethylphenoxy)methyl]pyrazol-3-amine
CID 19618300
5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one
CID 103218397
1-[2-(2,4-dimethylphenoxy)ethyl]pyrazol-3-amine
CID 63316415
[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221952
2-[(2-methoxy-5-methylphenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7630474
4-(2-bromoethyl)-1-[(2-methoxy-5-methylphenyl)methyl]triazole
CID 62396004
(2-methoxy-5-methylphenyl)methyl-trimethylsilane
CID 141465677
1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 47010589
1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721192
1-[2-(2,6-dichloro-3,5-dimethoxyphenyl)ethyl]pyrazol-3-amine
CID 175781899
ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102
5-[(2-methoxy-5-methylphenyl)methyl]-2-methylaniline
CID 82044512

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]pyrazol-3-amine?
The IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]pyrazol-3-amine (CID 62159764) is 1-[(2-methoxy-5-methylphenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[(2-methoxy-5-methylphenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-[(2-methoxy-5-methylphenyl)methyl]pyrazol-3-amine is COc1ccc(C)cc1Cn1ccc(N)n1.
What is the InChIKey of 1-[(2-methoxy-5-methylphenyl)methyl]pyrazol-3-amine?
The InChIKey is VMXHCPQZEURYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-3-4-11(16-2)10(7-9)8-15-6-5-12(13)14-15/h3-7H,8H2,1-2H3,(H2,13,14).
What are the key properties of 1-[(2-methoxy-5-methylphenyl)methyl]pyrazol-3-amine?
1-[(2-methoxy-5-methylphenyl)methyl]pyrazol-3-amine has a molecular weight of 217.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-methylphenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 62159764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).