N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine

C16H24N4O2 — CID 51104993

IUPACN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
SMILESCOc1ncccc1CNCc1c(C(C)C)nn(C)c1OC
InChIInChI=1S/C16H24N4O2/c1-11(2)14-13(16(22-5)20(3)19-14)10-17-9-12-7-6-8-18-15(12)21-4/h6-8,11,17H,9-10H2,1-5H3
InChIKeyOOURKWPSXKPKLQ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.25
Rot. Bonds7

About N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine

N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine (PubChem CID 51104993) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
PubChem CID51104993
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
SMILESCOc1ncccc1CNCc1c(C(C)C)nn(C)c1OC
InChIInChI=1S/C16H24N4O2/c1-11(2)14-13(16(22-5)20(3)19-14)10-17-9-12-7-6-8-18-15(12)21-4/h6-8,11,17H,9-10H2,1-5H3
InChIKeyOOURKWPSXKPKLQ-UHFFFAOYSA-N
XLogP2.25
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine?
The IUPAC name of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine (CID 51104993) is N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine is COc1ncccc1CNCc1c(C(C)C)nn(C)c1OC.
What is the InChIKey of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine?
The InChIKey is OOURKWPSXKPKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11(2)14-13(16(22-5)20(3)19-14)10-17-9-12-7-6-8-18-15(12)21-4/h6-8,11,17H,9-10H2,1-5H3.
What are the key properties of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine?
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine has a molecular weight of 304.39 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 51104993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).