N-[(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-2-amine

C14H19FN4O — CID 114657907

IUPACN-[(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-2-amine
SMILESCOc1cnn(C)c1C(NC(C)C)c1ccc(F)cn1
InChIInChI=1S/C14H19FN4O/c1-9(2)18-13(11-6-5-10(15)7-16-11)14-12(20-4)8-17-19(14)3/h5-9,13,18H,1-4H3
InChIKeyMGQBGTGJJSEOTJ-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.05
Rot. Bonds5

About N-[(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-2-amine

N-[(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-2-amine (PubChem CID 114657907) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-2-amine
PubChem CID114657907
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC NameN-[(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-2-amine
SMILESCOc1cnn(C)c1C(NC(C)C)c1ccc(F)cn1
InChIInChI=1S/C14H19FN4O/c1-9(2)18-13(11-6-5-10(15)7-16-11)14-12(20-4)8-17-19(14)3/h5-9,13,18H,1-4H3
InChIKeyMGQBGTGJJSEOTJ-UHFFFAOYSA-N
XLogP2.05
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-2-amine (CID 114657907) is N-[(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-2-amine is COc1cnn(C)c1C(NC(C)C)c1ccc(F)cn1.
What is the InChIKey of N-[(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-2-amine?
The InChIKey is MGQBGTGJJSEOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-9(2)18-13(11-6-5-10(15)7-16-11)14-12(20-4)8-17-19(14)3/h5-9,13,18H,1-4H3.
What are the key properties of N-[(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-2-amine?
N-[(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-2-amine has a molecular weight of 278.33 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 114657907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).