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

C17H24N4O — CID 117124712

IUPAC1-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]piperidin-4-amine
SMILESCOc1ccc(-n2nc(C)c(N3CCC(N)CC3)c2C)cc1
InChIInChI=1S/C17H24N4O/c1-12-17(20-10-8-14(18)9-11-20)13(2)21(19-12)15-4-6-16(22-3)7-5-15/h4-7,14H,8-11,18H2,1-3H3
InChIKeyAOZKELVTSBTAPQ-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.43
Rot. Bonds3

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

1-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]piperidin-4-amine (PubChem CID 117124712) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]piperidin-4-amine
PubChem CID117124712
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]piperidin-4-amine
SMILESCOc1ccc(-n2nc(C)c(N3CCC(N)CC3)c2C)cc1
InChIInChI=1S/C17H24N4O/c1-12-17(20-10-8-14(18)9-11-20)13(2)21(19-12)15-4-6-16(22-3)7-5-15/h4-7,14H,8-11,18H2,1-3H3
InChIKeyAOZKELVTSBTAPQ-UHFFFAOYSA-N
XLogP2.43
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]piperidin-4-amine (CID 117124712) is 1-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]piperidin-4-amine is COc1ccc(-n2nc(C)c(N3CCC(N)CC3)c2C)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]piperidin-4-amine?
The InChIKey is AOZKELVTSBTAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12-17(20-10-8-14(18)9-11-20)13(2)21(19-12)15-4-6-16(22-3)7-5-15/h4-7,14H,8-11,18H2,1-3H3.
What are the key properties of 1-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]piperidin-4-amine?
1-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]piperidin-4-amine has a molecular weight of 300.41 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]piperidin-4-amine is sourced from PubChem (CID 117124712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).