(1R)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine

C25H26N4 — CID 27655061

IUPAC(1R)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@@H](C)NCc1cn(Cc2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C25H26N4/c1-19-9-6-7-13-24(19)20(2)27-16-23-18-29(17-21-10-4-3-5-11-21)28-25(23)22-12-8-14-26-15-22/h3-15,18,20,27H,16-17H2,1-2H3/t20-/m1/s1
InChIKeyVUONHJDMTZIISC-HXUWFJFHSA-N
MW382.51 g/mol
LogP5.15
Rot. Bonds7

About (1R)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine

(1R)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine (PubChem CID 27655061) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is (1R)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
PubChem CID27655061
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC Name(1R)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@@H](C)NCc1cn(Cc2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C25H26N4/c1-19-9-6-7-13-24(19)20(2)27-16-23-18-29(17-21-10-4-3-5-11-21)28-25(23)22-12-8-14-26-15-22/h3-15,18,20,27H,16-17H2,1-2H3/t20-/m1/s1
InChIKeyVUONHJDMTZIISC-HXUWFJFHSA-N
XLogP5.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-bromophenyl)ethanamine
CID 27655096
2-[[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122073025
N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 86974955
N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine
CID 78971710
N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
CID 52672336
N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 119125389
N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51923541
1-(1,3-benzodioxol-5-yl)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine
CID 51203393
N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine;hydrochloride
CID 47612776
1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909014
(1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 52501408
1-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-methylmethanamine
CID 121213633

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine (CID 27655061) is (1R)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine is Cc1ccccc1[C@@H](C)NCc1cn(Cc2ccccc2)nc1-c1cccnc1.
What is the InChIKey of (1R)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is VUONHJDMTZIISC-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H26N4/c1-19-9-6-7-13-24(19)20(2)27-16-23-18-29(17-21-10-4-3-5-11-21)28-25(23)22-12-8-14-26-15-22/h3-15,18,20,27H,16-17H2,1-2H3/t20-/m1/s1.
What are the key properties of (1R)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine?
(1R)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 382.51 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 27655061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).