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

C14H23N5O — CID 51105024

IUPACN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
SMILESCOc1c(CNCc2ccnn2C)c(C(C)C)nn1C
InChIInChI=1S/C14H23N5O/c1-10(2)13-12(14(20-5)19(4)17-13)9-15-8-11-6-7-16-18(11)3/h6-7,10,15H,8-9H2,1-5H3
InChIKeyZLRIEFAAWDERGI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.58
Rot. Bonds6

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

N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine (PubChem CID 51105024) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
PubChem CID51105024
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
SMILESCOc1c(CNCc2ccnn2C)c(C(C)C)nn1C
InChIInChI=1S/C14H23N5O/c1-10(2)13-12(14(20-5)19(4)17-13)9-15-8-11-6-7-16-18(11)3/h6-7,10,15H,8-9H2,1-5H3
InChIKeyZLRIEFAAWDERGI-UHFFFAOYSA-N
XLogP1.58
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.58
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-methylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine (CID 51105024) is N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine is COc1c(CNCc2ccnn2C)c(C(C)C)nn1C.
What is the InChIKey of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is ZLRIEFAAWDERGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-10(2)13-12(14(20-5)19(4)17-13)9-15-8-11-6-7-16-18(11)3/h6-7,10,15H,8-9H2,1-5H3.
What are the key properties of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 277.37 g/mol, XLogP of 1.58, 6 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-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 51105024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).