(2R)-N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C22H23F2N3 — CID 97187048

IUPAC(2R)-N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1CN[C@@H]1CCc2ccccc2C1
InChIInChI=1S/C22H23F2N3/c1-14-20(13-25-19-9-7-16-5-3-4-6-17(16)11-19)15(2)27(26-14)22-10-8-18(23)12-21(22)24/h3-6,8,10,12,19,25H,7,9,11,13H2,1-2H3/t19-/m1/s1
InChIKeyNSKIPSYYMKTCCX-LJQANCHMSA-N
MW367.44 g/mol
LogP4.41
Rot. Bonds4

About (2R)-N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

(2R)-N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 97187048) has the molecular formula C22H23F2N3 and a molecular weight of 367.44 g/mol. Its IUPAC name is (2R)-N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R)-N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID97187048
Molecular FormulaC22H23F2N3
Molecular Weight367.44 g/mol
Exact Mass367.19
IUPAC Name(2R)-N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1CN[C@@H]1CCc2ccccc2C1
InChIInChI=1S/C22H23F2N3/c1-14-20(13-25-19-9-7-16-5-3-4-6-17(16)11-19)15(2)27(26-14)22-10-8-18(23)12-21(22)24/h3-6,8,10,12,19,25H,7,9,11,13H2,1-2H3/t19-/m1/s1
InChIKeyNSKIPSYYMKTCCX-LJQANCHMSA-N
XLogP4.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine
CID 154741660
N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethanamine
CID 97065536
N-[2-[1-(4-fluoro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethyl]cyclopropanamine
CID 79224024
N-[(2-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 102615642
[3-[[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol
CID 119123752
2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylethanone
CID 56814833
N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 124542975
N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine
CID 47052353
N-[(3-chloro-5-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 114452822
N-[(2-methyltetrazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107042348
N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43764909
N-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737963

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2R)-N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 97187048) is (2R)-N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2R)-N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2R)-N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is Cc1nn(-c2ccc(F)cc2F)c(C)c1CN[C@@H]1CCc2ccccc2C1.
What is the InChIKey of (2R)-N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is NSKIPSYYMKTCCX-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23F2N3/c1-14-20(13-25-19-9-7-16-5-3-4-6-17(16)11-19)15(2)27(26-14)22-10-8-18(23)12-21(22)24/h3-6,8,10,12,19,25H,7,9,11,13H2,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
(2R)-N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 367.44 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 97187048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).