N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperidin-3-amine

C17H24N4O — CID 47621649

IUPACN-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperidin-3-amine
SMILESCOc1cccc(-c2[nH]ncc2CNC2CCCN(C)C2)c1
InChIInChI=1S/C17H24N4O/c1-21-8-4-6-15(12-21)18-10-14-11-19-20-17(14)13-5-3-7-16(9-13)22-2/h3,5,7,9,11,15,18H,4,6,8,10,12H2,1-2H3,(H,19,20)
InChIKeyJJYNMECYIZQSAY-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.27
Rot. Bonds5

About N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperidin-3-amine

N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperidin-3-amine (PubChem CID 47621649) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperidin-3-amine
PubChem CID47621649
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperidin-3-amine
SMILESCOc1cccc(-c2[nH]ncc2CNC2CCCN(C)C2)c1
InChIInChI=1S/C17H24N4O/c1-21-8-4-6-15(12-21)18-10-14-11-19-20-17(14)13-5-3-7-16(9-13)22-2/h3,5,7,9,11,15,18H,4,6,8,10,12H2,1-2H3,(H,19,20)
InChIKeyJJYNMECYIZQSAY-UHFFFAOYSA-N
XLogP2.27
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperidin-3-amine?
The IUPAC name of N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperidin-3-amine (CID 47621649) is N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperidin-3-amine.
What is the SMILES notation for N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperidin-3-amine?
The canonical SMILES for N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperidin-3-amine is COc1cccc(-c2[nH]ncc2CNC2CCCN(C)C2)c1.
What is the InChIKey of N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperidin-3-amine?
The InChIKey is JJYNMECYIZQSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-21-8-4-6-15(12-21)18-10-14-11-19-20-17(14)13-5-3-7-16(9-13)22-2/h3,5,7,9,11,15,18H,4,6,8,10,12H2,1-2H3,(H,19,20).
What are the key properties of N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperidin-3-amine?
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperidin-3-amine has a molecular weight of 300.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperidin-3-amine is sourced from PubChem (CID 47621649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).