(1R)-1-phenyl-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine

C18H19N3 — CID 44542931

IUPAC(1R)-1-phenyl-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine
SMILESC[C@@H](NCc1ccn(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C18H19N3/c1-15(16-8-4-2-5-9-16)19-14-17-12-13-21(20-17)18-10-6-3-7-11-18/h2-13,15,19H,14H2,1H3/t15-/m1/s1
InChIKeyHDCCPXOLXYYEJF-OAHLLOKOSA-N
MW277.37 g/mol
LogP3.72
Rot. Bonds5

About (1R)-1-phenyl-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine

(1R)-1-phenyl-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine (PubChem CID 44542931) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is (1R)-1-phenyl-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-phenyl-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine
PubChem CID44542931
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name(1R)-1-phenyl-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine
SMILESC[C@@H](NCc1ccn(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C18H19N3/c1-15(16-8-4-2-5-9-16)19-14-17-12-13-21(20-17)18-10-6-3-7-11-18/h2-13,15,19H,14H2,1H3/t15-/m1/s1
InChIKeyHDCCPXOLXYYEJF-OAHLLOKOSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-phenyl-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine (CID 44542931) is (1R)-1-phenyl-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-phenyl-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-phenyl-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine is C[C@@H](NCc1ccn(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is HDCCPXOLXYYEJF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19N3/c1-15(16-8-4-2-5-9-16)19-14-17-12-13-21(20-17)18-10-6-3-7-11-18/h2-13,15,19H,14H2,1H3/t15-/m1/s1.
What are the key properties of (1R)-1-phenyl-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine?
(1R)-1-phenyl-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 277.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 44542931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).