N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-thiophen-2-ylacetamide

C23H21N3OS — CID 56548066

IUPACN-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C23H21N3OS/c27-23(15-21-6-3-14-28-21)24-16-20-5-1-2-7-22(20)19-10-8-18(9-11-19)17-26-13-4-12-25-26/h1-14H,15-17H2,(H,24,27)
InChIKeyVZBYCEUWGAESIU-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.52
Rot. Bonds7

About N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-thiophen-2-ylacetamide

N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 56548066) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-thiophen-2-ylacetamide
PubChem CID56548066
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC NameN-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C23H21N3OS/c27-23(15-21-6-3-14-28-21)24-16-20-5-1-2-7-22(20)19-10-8-18(9-11-19)17-26-13-4-12-25-26/h1-14H,15-17H2,(H,24,27)
InChIKeyVZBYCEUWGAESIU-UHFFFAOYSA-N
XLogP4.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]cyclopentanecarboxamide
CID 86883256
2-methyl-3-(methylamino)-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]propanamide
CID 119759392
2-thiophen-2-yl-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809924
1-methyl-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide
CID 136553019
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]prop-2-enamide
CID 56547770
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 37216571
2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid
CID 81318404
1-ethyl-3-(thiophen-2-ylmethyl)-2-[[2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methyl]guanidine
CID 111259747
N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 72687351
N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24681023
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylacetamide
CID 95960121

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-thiophen-2-ylacetamide (CID 56548066) is N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCc1ccccc1-c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is VZBYCEUWGAESIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS/c27-23(15-21-6-3-14-28-21)24-16-20-5-1-2-7-22(20)19-10-8-18(9-11-19)17-26-13-4-12-25-26/h1-14H,15-17H2,(H,24,27).
What are the key properties of N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-thiophen-2-ylacetamide?
N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 387.51 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 56548066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).