(1R)-N-[(2-fluorophenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine

C23H22FN3 — CID 42458001

IUPAC(1R)-N-[(2-fluorophenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine
SMILESCc1c([C@@H](C)NCc2ccccc2F)cnn1-c1cccc2ccccc12
InChIInChI=1S/C23H22FN3/c1-16(25-14-19-9-4-6-12-22(19)24)21-15-26-27(17(21)2)23-13-7-10-18-8-3-5-11-20(18)23/h3-13,15-16,25H,14H2,1-2H3/t16-/m1/s1
InChIKeyDUWQNNQXGORUDA-MRXNPFEDSA-N
MW359.45 g/mol
LogP5.32
Rot. Bonds5

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

(1R)-N-[(2-fluorophenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine (PubChem CID 42458001) has the molecular formula C23H22FN3 and a molecular weight of 359.45 g/mol. Its IUPAC name is (1R)-N-[(2-fluorophenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-fluorophenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine
PubChem CID42458001
Molecular FormulaC23H22FN3
Molecular Weight359.45 g/mol
Exact Mass359.18
IUPAC Name(1R)-N-[(2-fluorophenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine
SMILESCc1c([C@@H](C)NCc2ccccc2F)cnn1-c1cccc2ccccc12
InChIInChI=1S/C23H22FN3/c1-16(25-14-19-9-4-6-12-22(19)24)21-15-26-27(17(21)2)23-13-7-10-18-8-3-5-11-20(18)23/h3-13,15-16,25H,14H2,1-2H3/t16-/m1/s1
InChIKeyDUWQNNQXGORUDA-MRXNPFEDSA-N
XLogP5.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.45
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine
CID 25456774
(1R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine
CID 42393773
2-ethoxy-6-[[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethylamino]methyl]phenol
CID 45236071
1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 45226675
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine
CID 45205680
2-hydroxy-N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]acetamide
CID 72852508
2-amino-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]acetamide
CID 97119383
N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-oxobutanamide
CID 72886463
N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-methylsulfanylbenzamide
CID 45235266
1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 45186281
2-[2-[[[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]phenoxy]ethanol
CID 26324737
2-[[[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-6-ethoxyphenol
CID 25282901

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-fluorophenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine?
The IUPAC name of (1R)-N-[(2-fluorophenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine (CID 42458001) is (1R)-N-[(2-fluorophenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine.
What is the SMILES notation for (1R)-N-[(2-fluorophenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine?
The canonical SMILES for (1R)-N-[(2-fluorophenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine is Cc1c([C@@H](C)NCc2ccccc2F)cnn1-c1cccc2ccccc12.
What is the InChIKey of (1R)-N-[(2-fluorophenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine?
The InChIKey is DUWQNNQXGORUDA-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H22FN3/c1-16(25-14-19-9-4-6-12-22(19)24)21-15-26-27(17(21)2)23-13-7-10-18-8-3-5-11-20(18)23/h3-13,15-16,25H,14H2,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-N-[(2-fluorophenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine?
(1R)-N-[(2-fluorophenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine has a molecular weight of 359.45 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-fluorophenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 42458001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).