(2S)-4-phenyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine

C25H26N4 — CID 41047282

IUPAC(2S)-4-phenyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine
SMILESC[C@@H](CCc1ccccc1)NCc1cn(-c2ccccc2)nc1-c1ccncc1
InChIInChI=1S/C25H26N4/c1-20(12-13-21-8-4-2-5-9-21)27-18-23-19-29(24-10-6-3-7-11-24)28-25(23)22-14-16-26-17-15-22/h2-11,14-17,19-20,27H,12-13,18H2,1H3/t20-/m0/s1
InChIKeyNSXBSIKZQFOSRH-FQEVSTJZSA-N
MW382.51 g/mol
LogP5.05
Rot. Bonds8

About (2S)-4-phenyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine

(2S)-4-phenyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine (PubChem CID 41047282) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is (2S)-4-phenyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name(2S)-4-phenyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine
PubChem CID41047282
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC Name(2S)-4-phenyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine
SMILESC[C@@H](CCc1ccccc1)NCc1cn(-c2ccccc2)nc1-c1ccncc1
InChIInChI=1S/C25H26N4/c1-20(12-13-21-8-4-2-5-9-21)27-18-23-19-29(24-10-6-3-7-11-24)28-25(23)22-14-16-26-17-15-22/h2-11,14-17,19-20,27H,12-13,18H2,1H3/t20-/m0/s1
InChIKeyNSXBSIKZQFOSRH-FQEVSTJZSA-N
XLogP5.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-4-phenyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine with MolForge

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Related Compounds

2-phenylmethoxy-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propanamide
CID 49013444
4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride
CID 17206485
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide
CID 48947247
(2S)-N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 124830978
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 51110159
(2S)-N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 124821452
3-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]butan-1-ol
CID 111436843
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine
CID 119125462
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-phenylethanamine
CID 4792477
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 115885307
(2S)-4-phenyl-N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]butan-2-amine
CID 124806079
(2R)-2-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]propan-1-ol
CID 47624262

Frequently Asked Questions

What is the IUPAC name of (2S)-4-phenyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine?
The IUPAC name of (2S)-4-phenyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine (CID 41047282) is (2S)-4-phenyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine.
What is the SMILES notation for (2S)-4-phenyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine?
The canonical SMILES for (2S)-4-phenyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine is C[C@@H](CCc1ccccc1)NCc1cn(-c2ccccc2)nc1-c1ccncc1.
What is the InChIKey of (2S)-4-phenyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine?
The InChIKey is NSXBSIKZQFOSRH-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H26N4/c1-20(12-13-21-8-4-2-5-9-21)27-18-23-19-29(24-10-6-3-7-11-24)28-25(23)22-14-16-26-17-15-22/h2-11,14-17,19-20,27H,12-13,18H2,1H3/t20-/m0/s1.
What are the key properties of (2S)-4-phenyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine?
(2S)-4-phenyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine has a molecular weight of 382.51 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-phenyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine is sourced from PubChem (CID 41047282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).