N-methyl-1-[5-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine

C16H17N3O — CID 62771530

IUPACN-methyl-1-[5-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine
SMILESCNCc1ccc(Cn2cc(-c3ccccc3)cn2)o1
InChIInChI=1S/C16H17N3O/c1-17-10-15-7-8-16(20-15)12-19-11-14(9-18-19)13-5-3-2-4-6-13/h2-9,11,17H,10,12H2,1H3
InChIKeyWYTDVXMXOPHCIG-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.91
Rot. Bonds5

About N-methyl-1-[5-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine

N-methyl-1-[5-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine (PubChem CID 62771530) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-methyl-1-[5-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine
PubChem CID62771530
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-methyl-1-[5-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine
SMILESCNCc1ccc(Cn2cc(-c3ccccc3)cn2)o1
InChIInChI=1S/C16H17N3O/c1-17-10-15-7-8-16(20-15)12-19-11-14(9-18-19)13-5-3-2-4-6-13/h2-9,11,17H,10,12H2,1H3
InChIKeyWYTDVXMXOPHCIG-UHFFFAOYSA-N
XLogP2.91
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine (CID 62771530) is N-methyl-1-[5-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine is CNCc1ccc(Cn2cc(-c3ccccc3)cn2)o1.
What is the InChIKey of N-methyl-1-[5-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine?
The InChIKey is WYTDVXMXOPHCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-17-10-15-7-8-16(20-15)12-19-11-14(9-18-19)13-5-3-2-4-6-13/h2-9,11,17H,10,12H2,1H3.
What are the key properties of N-methyl-1-[5-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine?
N-methyl-1-[5-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62771530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).