(1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C26H26N4 — CID 52501408

IUPAC(1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESc1ccc(Cn2cc(CN[C@H]3CCCc4ccccc43)c(-c3cccnc3)n2)cc1
InChIInChI=1S/C26H26N4/c1-2-8-20(9-3-1)18-30-19-23(26(29-30)22-12-7-15-27-16-22)17-28-25-14-6-11-21-10-4-5-13-24(21)25/h1-5,7-10,12-13,15-16,19,25,28H,6,11,14,17-18H2/t25-/m0/s1
InChIKeyFWYJETBKUSGMAC-VWLOTQADSA-N
MW394.52 g/mol
LogP5.16
Rot. Bonds6

About (1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 52501408) has the molecular formula C26H26N4 and a molecular weight of 394.52 g/mol. Its IUPAC name is (1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID52501408
Molecular FormulaC26H26N4
Molecular Weight394.52 g/mol
Exact Mass394.22
IUPAC Name(1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESc1ccc(Cn2cc(CN[C@H]3CCCc4ccccc43)c(-c3cccnc3)n2)cc1
InChIInChI=1S/C26H26N4/c1-2-8-20(9-3-1)18-30-19-23(26(29-30)22-12-7-15-27-16-22)17-28-25-14-6-11-21-10-4-5-13-24(21)25/h1-5,7-10,12-13,15-16,19,25,28H,6,11,14,17-18H2/t25-/m0/s1
InChIKeyFWYJETBKUSGMAC-VWLOTQADSA-N
XLogP5.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

2-[(4R)-4-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 52908787
N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51923541
N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanamine
CID 51126327
N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 60894294
1-phenyl-3-pyridin-3-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 8001480
1-[4-[[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one
CID 26690189
1-(1,3-benzodioxol-5-yl)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine
CID 51203393
N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 3755839
(1R)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 27655061
(1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-bromophenyl)ethanamine
CID 27655096
N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
CID 52672336
1-benzyl-N-cyclopropyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9461304

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 52501408) is (1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is c1ccc(Cn2cc(CN[C@H]3CCCc4ccccc43)c(-c3cccnc3)n2)cc1.
What is the InChIKey of (1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is FWYJETBKUSGMAC-VWLOTQADSA-N. The full InChI is InChI=1S/C26H26N4/c1-2-8-20(9-3-1)18-30-19-23(26(29-30)22-12-7-15-27-16-22)17-28-25-14-6-11-21-10-4-5-13-24(21)25/h1-5,7-10,12-13,15-16,19,25,28H,6,11,14,17-18H2/t25-/m0/s1.
What are the key properties of (1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 394.52 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 52501408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).