5-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazol-3-amine

C12H15N3O2 — CID 63047414

IUPAC5-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
SMILESCNc1cc(-c2ccc(OC)c(OC)c2)[nH]n1
InChIInChI=1S/C12H15N3O2/c1-13-12-7-9(14-15-12)8-4-5-10(16-2)11(6-8)17-3/h4-7H,1-3H3,(H2,13,14,15)
InChIKeyZSGMGXMAXPDKFQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.14
Rot. Bonds4

About 5-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazol-3-amine

5-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazol-3-amine (PubChem CID 63047414) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
PubChem CID63047414
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
SMILESCNc1cc(-c2ccc(OC)c(OC)c2)[nH]n1
InChIInChI=1S/C12H15N3O2/c1-13-12-7-9(14-15-12)8-4-5-10(16-2)11(6-8)17-3/h4-7H,1-3H3,(H2,13,14,15)
InChIKeyZSGMGXMAXPDKFQ-UHFFFAOYSA-N
XLogP2.14
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-ethyl-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827233
6-(3,4-dimethoxyphenyl)-N-methylpyridazin-3-amine
CID 62203035
5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827239
5-(2,5-difluoro-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827288
5-(4-ethoxy-3-methoxyphenyl)-1H-pyrazol-3-amine
CID 3480116
5-(3,4-dimethoxyphenyl)-N,6-dimethylpyridin-2-amine
CID 123389568
N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 21262997
N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide
CID 18799531
6-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-methylpyrimidin-4-amine
CID 63353878
4-(3,4-dimethoxyphenyl)-2-[4-(3,4-dimethoxyphenyl)-2-pyridinyl]pyridine
CID 86054377
3-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]benzoic acid
CID 141357527
2-(3,4-dimethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62318946

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazol-3-amine (CID 63047414) is 5-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazol-3-amine is CNc1cc(-c2ccc(OC)c(OC)c2)[nH]n1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazol-3-amine?
The InChIKey is ZSGMGXMAXPDKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-13-12-7-9(14-15-12)8-4-5-10(16-2)11(6-8)17-3/h4-7H,1-3H3,(H2,13,14,15).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazol-3-amine?
5-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazol-3-amine has a molecular weight of 233.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 63047414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).