(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-naphthalen-1-ylethanamine

C23H23N3 — CID 31560301

IUPAC(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-naphthalen-1-ylethanamine
SMILESC[C@@H](NCc1cnn(Cc2ccccc2)c1)c1cccc2ccccc12
InChIInChI=1S/C23H23N3/c1-18(22-13-7-11-21-10-5-6-12-23(21)22)24-14-20-15-25-26(17-20)16-19-8-3-2-4-9-19/h2-13,15,17-18,24H,14,16H2,1H3/t18-/m1/s1
InChIKeyUFWYSGWVRTWTQO-GOSISDBHSA-N
MW341.46 g/mol
LogP4.94
Rot. Bonds6

About (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-naphthalen-1-ylethanamine

(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-naphthalen-1-ylethanamine (PubChem CID 31560301) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-naphthalen-1-ylethanamine
PubChem CID31560301
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-naphthalen-1-ylethanamine
SMILESC[C@@H](NCc1cnn(Cc2ccccc2)c1)c1cccc2ccccc12
InChIInChI=1S/C23H23N3/c1-18(22-13-7-11-21-10-5-6-12-23(21)22)24-14-20-15-25-26(17-20)16-19-8-3-2-4-9-19/h2-13,15,17-18,24H,14,16H2,1H3/t18-/m1/s1
InChIKeyUFWYSGWVRTWTQO-GOSISDBHSA-N
XLogP4.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81391965
(1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81378018
1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759136
N-[(1-benzylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65047705
N-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 55110405
2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64829552
1-[(1-benzylpyrazol-4-yl)methyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111127321
ethyl 2-[(1-benzylpyrazol-4-yl)methylamino]propanoate
CID 61498436
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
(1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine
CID 59562831
2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine
CID 83005209
N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-naphthalen-1-ylethanamine (CID 31560301) is (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-naphthalen-1-ylethanamine is C[C@@H](NCc1cnn(Cc2ccccc2)c1)c1cccc2ccccc12.
What is the InChIKey of (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-naphthalen-1-ylethanamine?
The InChIKey is UFWYSGWVRTWTQO-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23N3/c1-18(22-13-7-11-21-10-5-6-12-23(21)22)24-14-20-15-25-26(17-20)16-19-8-3-2-4-9-19/h2-13,15,17-18,24H,14,16H2,1H3/t18-/m1/s1.
What are the key properties of (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-naphthalen-1-ylethanamine?
(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-naphthalen-1-ylethanamine has a molecular weight of 341.46 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 31560301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).