N-phenyl-6-pyrazol-1-yl-N-(3-thiophen-3-ylphenyl)pyridin-2-amine

C24H18N4S — CID 58704171

IUPACN-phenyl-6-pyrazol-1-yl-N-(3-thiophen-3-ylphenyl)pyridin-2-amine
SMILESc1ccc(N(c2cccc(-c3ccsc3)c2)c2cccc(-n3cccn3)n2)cc1
InChIInChI=1S/C24H18N4S/c1-2-8-21(9-3-1)28(22-10-4-7-19(17-22)20-13-16-29-18-20)24-12-5-11-23(26-24)27-15-6-14-25-27/h1-18H
InChIKeyRDYAKOCJJRTDCE-UHFFFAOYSA-N
MW394.50 g/mol
LogP6.47
Rot. Bonds5

About N-phenyl-6-pyrazol-1-yl-N-(3-thiophen-3-ylphenyl)pyridin-2-amine

N-phenyl-6-pyrazol-1-yl-N-(3-thiophen-3-ylphenyl)pyridin-2-amine (PubChem CID 58704171) has the molecular formula C24H18N4S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-phenyl-6-pyrazol-1-yl-N-(3-thiophen-3-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-phenyl-6-pyrazol-1-yl-N-(3-thiophen-3-ylphenyl)pyridin-2-amine
PubChem CID58704171
Molecular FormulaC24H18N4S
Molecular Weight394.50 g/mol
Exact Mass394.13
IUPAC NameN-phenyl-6-pyrazol-1-yl-N-(3-thiophen-3-ylphenyl)pyridin-2-amine
SMILESc1ccc(N(c2cccc(-c3ccsc3)c2)c2cccc(-n3cccn3)n2)cc1
InChIInChI=1S/C24H18N4S/c1-2-8-21(9-3-1)28(22-10-4-7-19(17-22)20-13-16-29-18-20)24-12-5-11-23(26-24)27-15-6-14-25-27/h1-18H
InChIKeyRDYAKOCJJRTDCE-UHFFFAOYSA-N
XLogP6.47
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-N-phenyl-6-pyrazol-1-ylpyridin-2-amine
CID 58704350
N-phenyl-6-pyrrol-1-yl-N-[3-(1,2-thiazol-3-yl)phenyl]pyridin-2-amine
CID 58704429
N,N-diphenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]pyridin-2-amine
CID 23135801
2,6-di(pyrazol-1-yl)pyridine;ethane
CID 144724019
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
3-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-pyrazol-1-ylphenyl)aniline
CID 58704225
N-phenyl-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 166591076
3-[4-(4-phenylphenyl)phenyl]thiophene
CID 102231125
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384

Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-pyrazol-1-yl-N-(3-thiophen-3-ylphenyl)pyridin-2-amine?
The IUPAC name of N-phenyl-6-pyrazol-1-yl-N-(3-thiophen-3-ylphenyl)pyridin-2-amine (CID 58704171) is N-phenyl-6-pyrazol-1-yl-N-(3-thiophen-3-ylphenyl)pyridin-2-amine.
What is the SMILES notation for N-phenyl-6-pyrazol-1-yl-N-(3-thiophen-3-ylphenyl)pyridin-2-amine?
The canonical SMILES for N-phenyl-6-pyrazol-1-yl-N-(3-thiophen-3-ylphenyl)pyridin-2-amine is c1ccc(N(c2cccc(-c3ccsc3)c2)c2cccc(-n3cccn3)n2)cc1.
What is the InChIKey of N-phenyl-6-pyrazol-1-yl-N-(3-thiophen-3-ylphenyl)pyridin-2-amine?
The InChIKey is RDYAKOCJJRTDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4S/c1-2-8-21(9-3-1)28(22-10-4-7-19(17-22)20-13-16-29-18-20)24-12-5-11-23(26-24)27-15-6-14-25-27/h1-18H.
What are the key properties of N-phenyl-6-pyrazol-1-yl-N-(3-thiophen-3-ylphenyl)pyridin-2-amine?
N-phenyl-6-pyrazol-1-yl-N-(3-thiophen-3-ylphenyl)pyridin-2-amine has a molecular weight of 394.50 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-pyrazol-1-yl-N-(3-thiophen-3-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 58704171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).