(1R)-1-(1-benzylpyrazol-4-yl)-N-[(1S)-1-pyrazin-2-ylethyl]ethanamine

C18H21N5 — CID 97108308

IUPAC(1R)-1-(1-benzylpyrazol-4-yl)-N-[(1S)-1-pyrazin-2-ylethyl]ethanamine
SMILESC[C@H](N[C@H](C)c1cnn(Cc2ccccc2)c1)c1cnccn1
InChIInChI=1S/C18H21N5/c1-14(22-15(2)18-11-19-8-9-20-18)17-10-21-23(13-17)12-16-6-4-3-5-7-16/h3-11,13-15,22H,12H2,1-2H3/t14-,15+/m1/s1
InChIKeySJLGZPLCPCZNJC-CABCVRRESA-N
MW307.40 g/mol
LogP3.13
Rot. Bonds6

About (1R)-1-(1-benzylpyrazol-4-yl)-N-[(1S)-1-pyrazin-2-ylethyl]ethanamine

(1R)-1-(1-benzylpyrazol-4-yl)-N-[(1S)-1-pyrazin-2-ylethyl]ethanamine (PubChem CID 97108308) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is (1R)-1-(1-benzylpyrazol-4-yl)-N-[(1S)-1-pyrazin-2-ylethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(1-benzylpyrazol-4-yl)-N-[(1S)-1-pyrazin-2-ylethyl]ethanamine
PubChem CID97108308
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name(1R)-1-(1-benzylpyrazol-4-yl)-N-[(1S)-1-pyrazin-2-ylethyl]ethanamine
SMILESC[C@H](N[C@H](C)c1cnn(Cc2ccccc2)c1)c1cnccn1
InChIInChI=1S/C18H21N5/c1-14(22-15(2)18-11-19-8-9-20-18)17-10-21-23(13-17)12-16-6-4-3-5-7-16/h3-11,13-15,22H,12H2,1-2H3/t14-,15+/m1/s1
InChIKeySJLGZPLCPCZNJC-CABCVRRESA-N
XLogP3.13
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-benzylpyrazol-4-yl)-N-[(1S)-1-pyrazin-2-ylethyl]ethanamine?
The IUPAC name of (1R)-1-(1-benzylpyrazol-4-yl)-N-[(1S)-1-pyrazin-2-ylethyl]ethanamine (CID 97108308) is (1R)-1-(1-benzylpyrazol-4-yl)-N-[(1S)-1-pyrazin-2-ylethyl]ethanamine.
What is the SMILES notation for (1R)-1-(1-benzylpyrazol-4-yl)-N-[(1S)-1-pyrazin-2-ylethyl]ethanamine?
The canonical SMILES for (1R)-1-(1-benzylpyrazol-4-yl)-N-[(1S)-1-pyrazin-2-ylethyl]ethanamine is C[C@H](N[C@H](C)c1cnn(Cc2ccccc2)c1)c1cnccn1.
What is the InChIKey of (1R)-1-(1-benzylpyrazol-4-yl)-N-[(1S)-1-pyrazin-2-ylethyl]ethanamine?
The InChIKey is SJLGZPLCPCZNJC-CABCVRRESA-N. The full InChI is InChI=1S/C18H21N5/c1-14(22-15(2)18-11-19-8-9-20-18)17-10-21-23(13-17)12-16-6-4-3-5-7-16/h3-11,13-15,22H,12H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (1R)-1-(1-benzylpyrazol-4-yl)-N-[(1S)-1-pyrazin-2-ylethyl]ethanamine?
(1R)-1-(1-benzylpyrazol-4-yl)-N-[(1S)-1-pyrazin-2-ylethyl]ethanamine has a molecular weight of 307.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-benzylpyrazol-4-yl)-N-[(1S)-1-pyrazin-2-ylethyl]ethanamine is sourced from PubChem (CID 97108308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).