(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]ethanamine

C27H25N5 — CID 42592797

IUPAC(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]ethanamine
SMILESCc1c([C@@H](C)NCc2cnc(-c3cccc4ccccc34)nc2)cnn1-c1ccccc1
InChIInChI=1S/C27H25N5/c1-19(26-18-31-32(20(26)2)23-11-4-3-5-12-23)28-15-21-16-29-27(30-17-21)25-14-8-10-22-9-6-7-13-24(22)25/h3-14,16-19,28H,15H2,1-2H3/t19-/m1/s1
InChIKeyPTDNNPQULRHUMJ-LJQANCHMSA-N
MW419.53 g/mol
LogP5.64
Rot. Bonds6

About (1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]ethanamine

(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]ethanamine (PubChem CID 42592797) has the molecular formula C27H25N5 and a molecular weight of 419.53 g/mol. Its IUPAC name is (1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]ethanamine
PubChem CID42592797
Molecular FormulaC27H25N5
Molecular Weight419.53 g/mol
Exact Mass419.21
IUPAC Name(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]ethanamine
SMILESCc1c([C@@H](C)NCc2cnc(-c3cccc4ccccc34)nc2)cnn1-c1ccccc1
InChIInChI=1S/C27H25N5/c1-19(26-18-31-32(20(26)2)23-11-4-3-5-12-23)28-15-21-16-29-27(30-17-21)25-14-8-10-22-9-6-7-13-24(22)25/h3-14,16-19,28H,15H2,1-2H3/t19-/m1/s1
InChIKeyPTDNNPQULRHUMJ-LJQANCHMSA-N
XLogP5.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]ethanamine (CID 42592797) is (1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]ethanamine is Cc1c([C@@H](C)NCc2cnc(-c3cccc4ccccc34)nc2)cnn1-c1ccccc1.
What is the InChIKey of (1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]ethanamine?
The InChIKey is PTDNNPQULRHUMJ-LJQANCHMSA-N. The full InChI is InChI=1S/C27H25N5/c1-19(26-18-31-32(20(26)2)23-11-4-3-5-12-23)28-15-21-16-29-27(30-17-21)25-14-8-10-22-9-6-7-13-24(22)25/h3-14,16-19,28H,15H2,1-2H3/t19-/m1/s1.
What are the key properties of (1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]ethanamine?
(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]ethanamine has a molecular weight of 419.53 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]ethanamine is sourced from PubChem (CID 42592797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).