3-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyridin-4-amine

C17H18N4O — CID 45204799

IUPAC3-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyridin-4-amine
SMILESCOc1ccc(-c2cnccc2N)c(-n2nc(C)cc2C)c1
InChIInChI=1S/C17H18N4O/c1-11-8-12(2)21(20-11)17-9-13(22-3)4-5-14(17)15-10-19-7-6-16(15)18/h4-10H,1-3H3,(H2,18,19)
InChIKeyKIFFFDPCHUWMDZ-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.14
Rot. Bonds3

About 3-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyridin-4-amine

3-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyridin-4-amine (PubChem CID 45204799) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyridin-4-amine
PubChem CID45204799
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyridin-4-amine
SMILESCOc1ccc(-c2cnccc2N)c(-n2nc(C)cc2C)c1
InChIInChI=1S/C17H18N4O/c1-11-8-12(2)21(20-11)17-9-13(22-3)4-5-14(17)15-10-19-7-6-16(15)18/h4-10H,1-3H3,(H2,18,19)
InChIKeyKIFFFDPCHUWMDZ-UHFFFAOYSA-N
XLogP3.14
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyridin-4-amine?
The IUPAC name of 3-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyridin-4-amine (CID 45204799) is 3-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyridin-4-amine.
What is the SMILES notation for 3-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyridin-4-amine?
The canonical SMILES for 3-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyridin-4-amine is COc1ccc(-c2cnccc2N)c(-n2nc(C)cc2C)c1.
What is the InChIKey of 3-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyridin-4-amine?
The InChIKey is KIFFFDPCHUWMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11-8-12(2)21(20-11)17-9-13(22-3)4-5-14(17)15-10-19-7-6-16(15)18/h4-10H,1-3H3,(H2,18,19).
What are the key properties of 3-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyridin-4-amine?
3-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyridin-4-amine has a molecular weight of 294.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylpyrazol-1-yl)-4-methoxyphenyl]pyridin-4-amine is sourced from PubChem (CID 45204799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).