N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyridin-2-amine

C18H20N4O — CID 173096284

IUPACN-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyridin-2-amine
SMILESCC(COc1cccc(-c2cnn(C)c2)c1)Nc1ccccn1
InChIInChI=1S/C18H20N4O/c1-14(21-18-8-3-4-9-19-18)13-23-17-7-5-6-15(10-17)16-11-20-22(2)12-16/h3-12,14H,13H2,1-2H3,(H,19,21)
InChIKeyMROLUZQNDDCPQH-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.36
Rot. Bonds6

About N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyridin-2-amine

N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyridin-2-amine (PubChem CID 173096284) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyridin-2-amine
PubChem CID173096284
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyridin-2-amine
SMILESCC(COc1cccc(-c2cnn(C)c2)c1)Nc1ccccn1
InChIInChI=1S/C18H20N4O/c1-14(21-18-8-3-4-9-19-18)13-23-17-7-5-6-15(10-17)16-11-20-22(2)12-16/h3-12,14H,13H2,1-2H3,(H,19,21)
InChIKeyMROLUZQNDDCPQH-UHFFFAOYSA-N
XLogP3.36
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyridin-2-amine?
The IUPAC name of N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyridin-2-amine (CID 173096284) is N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyridin-2-amine.
What is the SMILES notation for N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyridin-2-amine?
The canonical SMILES for N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyridin-2-amine is CC(COc1cccc(-c2cnn(C)c2)c1)Nc1ccccn1.
What is the InChIKey of N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyridin-2-amine?
The InChIKey is MROLUZQNDDCPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-14(21-18-8-3-4-9-19-18)13-23-17-7-5-6-15(10-17)16-11-20-22(2)12-16/h3-12,14H,13H2,1-2H3,(H,19,21).
What are the key properties of N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyridin-2-amine?
N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyridin-2-amine has a molecular weight of 308.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyridin-2-amine is sourced from PubChem (CID 173096284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).