N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C21H23N3 — CID 86913987

IUPACN-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccc(-c2[nH]ncc2CNC2CCCc3ccccc32)cc1
InChIInChI=1S/C21H23N3/c1-15-9-11-17(12-10-15)21-18(14-23-24-21)13-22-20-8-4-6-16-5-2-3-7-19(16)20/h2-3,5,7,9-12,14,20,22H,4,6,8,13H2,1H3,(H,23,24)
InChIKeyYWYLQXQEFGUSJX-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.55
Rot. Bonds4

About N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 86913987) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID86913987
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC NameN-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccc(-c2[nH]ncc2CNC2CCCc3ccccc32)cc1
InChIInChI=1S/C21H23N3/c1-15-9-11-17(12-10-15)21-18(14-23-24-21)13-22-20-8-4-6-16-5-2-3-7-19(16)20/h2-3,5,7,9-12,14,20,22H,4,6,8,13H2,1H3,(H,23,24)
InChIKeyYWYLQXQEFGUSJX-UHFFFAOYSA-N
XLogP4.55
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43079139
N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106862360
N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 80708052
N-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43220614
N-[(2-ethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62391908
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113425863
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 95795147
N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62123469
N-(1H-1,2,4-triazol-5-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 54884775
N-[(2,3,4-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 3126346
cis-(1S,2R)-2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]cyclopentane-1-carboxylic acid
CID 138021569
4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzene-1,2,3-triol
CID 107730407

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 86913987) is N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1ccc(-c2[nH]ncc2CNC2CCCc3ccccc32)cc1.
What is the InChIKey of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is YWYLQXQEFGUSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-15-9-11-17(12-10-15)21-18(14-23-24-21)13-22-20-8-4-6-16-5-2-3-7-19(16)20/h2-3,5,7,9-12,14,20,22H,4,6,8,13H2,1H3,(H,23,24).
What are the key properties of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 317.44 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 86913987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).